SCHEMBL3155192

SCHEMBL3155192

O=CN(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP2A6 P11509 1/20 0.38
HTT P42858 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 4/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
ALOX12 P18054 1/20 0.33
RUNX1 Q01196 1/20 0.33
ATM Q13315 1/20 0.33
CBFB Q13951 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL8038732 0.77 HSD17B10 (0.44) ALDH1A1ALOX15CYP2A6NPC1POLB
SCHEMBL6872360 0.74 CA12 (0.37) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL7978097 0.72 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15CYP2A6HTT
SCHEMBL5516786 0.72 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15CYP2A6HTT
SCHEMBL43388 0.72 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15CYP2A6HTT
SCHEMBL29655310 0.70 HTT (0.34) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL9435737 0.69 ALDH1A1 (0.38) ALDH1A1NPSR1ALOX15CYP2A6HTT
SCHEMBL8042435 0.69 ALDH1A1 (0.34) ALDH1A1NPSR1ALOX15CYP2A6HTT
SCHEMBL10738575 0.69 ALDH1A1 (0.42) ALDH1A1NPSR1ALOX15HTTKMT2A
SCHEMBL2455066 0.68 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15CYP2A6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802634-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044826-A2 THIOPHENS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-0054865-B1 SUBSTITUTED 1-AZOLYL-BUTAN-2-ONES, THEIR PREPARATION AND THEIR APPLICATION AS FUNGICIDES AS WELL AS INTERMEDIATES BAYER AG (DE) 1986-02-26 EP claimed
US-4551464-A AND SULFIMINO CARBOSTYRILS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-11-05 US claimed
EP-0083750-B1 ANTIMYCOTIC AZOLYL BUTANOLS BAYER AG (DE) 1985-08-07 EP claimed
US-4442111-A Antithrombotic sulfimino and sulfoximino indolinones-2 DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-04-10 US claimed
US-4116953-A 2-PHENYL-3,1-BENZOXAZIN-4-ONES, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 1978-09-26 US claimed
US-4076819-A ANTIINFLAMMATORY AGENTS, INHIBITOR OF BLOOD PLATELET AGGREGATION PARCOR (FR) 1978-02-28 US claimed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 US claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed
CN-106984291-B Preparation and use of bis [ -6-oxo- (3-deoxycitric acid monoester-4) ] - β -cyclodextrin HPLC column material 中南民族大学 2020-04-21 CN disclosed
CN-110179987-A For treating the therapeutic agent of inflammatory lung disease 加的夫大学学院咨询有限公司 2019-08-30 CN disclosed
EP-1749880-B1 Cleaning compositions and methods RECKITT BENCKISER UK LTD (GB) 2013-04-17 EP disclosed
US-8258092-B2 Cleaning compositions and methods RECKITT BENCKISER (UK) LIMITED (GB) 2012-09-04 US disclosed
US-4017468-A IMIDE-MODIFIED TERPOLYMERSSULFUR-CURED RUBBER, TIRES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-04-12 US disclosed
US-4016151-A Phenyl-substituted phthalazone azo dyes with a coupling component of the phenol, napthol, acetoacetarylide, pyrazolone, quinolone, pyridine, pyrimidone or isoquinolone series BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US disclosed
US-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 US disclosed
US-3935311-A Substitute pyridinol-containing compositions and methods for the treatment of coccidiosis SANKYO COMPANY LIMITED (JA) 1976-01-27 US disclosed