SCHEMBL754480

SCHEMBL754480

COc1cc(C)nc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.61
POLB P06746 1/20 0.55
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 5/20 0.47
GRM4 Q14833 1/20 0.46
HSP90AB1 P08238 3/20 0.45
CYP1A2 P05177 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.42
CYP2C9 P11712 1/20 0.42
RECQL P46063 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Methyl Carbamate SCHEMBL9365259 0.87 ALDH1A1 (0.53) NUDT1POLBRAB9AALDH1A1NPC1
SCHEMBL151590 0.85 ALDH1A1 (0.59) NUDT1POLBRAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL10746200 0.83 ALDH1A1 (0.57) NUDT1POLBRAB9AALDH1A1NPC1
SCHEMBL1880465 0.80 NUDT1 (0.55) NUDT1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL13351316 0.79 ALDH1A1 (0.43) NUDT1POLBRAB9AALDH1A1NPC1
SCHEMBL6401649 0.79 ALDH1A1 (0.53) NUDT1RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL30294843 0.79 ALDH1A1 (0.43) NUDT1POLBRAB9AALDH1A1NPC1
SCHEMBL10365909 0.77 ALDH1A1 (0.52) NUDT1POLBRAB9AALDH1A1NPC1
SCHEMBL151114 0.77
SCHEMBL10859769 0.77 RAB9A (0.47) NUDT1POLBRAB9AALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 691 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333840-B Intrinsic self-repairing amino acid polymer and preparation method thereof 安徽东凯生物科技股份有限公司 2023-10-27 CN claimed
CN-108101854-B Preparation of amino acid ester compound containing pyrimidine structure and application of amino acid ester compound in resisting tobacco mosaic virus 贵州理工学院 2021-01-05 CN claimed
CN-111333840-A Amino acid polymer with intrinsic self-repairing property and preparation method thereof 刘云晖 2020-06-26 CN claimed
CN-111333871-A Intrinsic self-repairing zwitterionic hydrogel and preparation method thereof 刘云晖 2020-06-26 CN claimed
CN-110642791-A Sulfonylurea compound, preparation method thereof and application thereof in preparing herbicide 南开大学 2020-01-03 CN claimed
CN-102168271-B Vapour phase inhibitor composition, its preparation method and the purposes for erosion-resisting temporary protection thereof EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2015-09-09 CN claimed
US-8906267-B2 Compositions of vapour phase corrosion inhibitors, method for the production thereof and use thereof for temporary protection against corrosion EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2014-12-09 US claimed
CN-101928943-B Compound corrosion inhibitor for butyl rubber chloromethane glycol dehydrating regeneration system CHINA PETROLEUM & CHEMICAL 2013-01-16 CN claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-2357266-B1 Compositions of vapour-phase corrosion inhibitors, method for their production and use of same for temporary corrosion protection EXCOR KORROSIONSFORSCHUNG GMBH (DE) 2012-05-09 EP claimed
WO-1999018914-A2 APPLICATION OF INDANONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
WO-1999019558-A2 USE OF MALONALDEHYDE DERIVATIVES FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO claimed
WO-1998047472-A1 THE USE OF 1-SUBSTITUTED ISATINS TO DYE FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed
WO-1998047473-A1 USE OF UNSATURATED ALDEHYDES IN DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-10-29 WO claimed
EP-0873743-A2 Use of benzylidene-ketones for dyeing keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0873744-A2 Use of heterocyclic carbonyl compounds for dying keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0873746-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0873745-A2 Dyestuff for keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-28 EP claimed
EP-0820759-A2 Compositions for dyeing keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-01-28 EP claimed
EP-0074595-B1 SUBSTITUTED PHENYLSULFONYL UREA DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-07-23 EP claimed