SCHEMBL6592913

SCHEMBL6592913

Cc1cc(=O)oc2cc(OCCCCBr)ccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.71
MAOA P21397 4/20 0.71
KDM4E B2RXH2 5/20 0.65
ALDH1A1 P00352 5/20 0.65
KMT2A Q03164 4/20 0.65
RAB9A P51151 3/20 0.65
MEN1 O00255 3/20 0.65
HPGD P15428 3/20 0.62
HSD17B10 Q99714 3/20 0.62
GLA P06280 2/20 0.62
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TSHR P16473 1/20 0.62
ALDH2 P05091 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 2/20 0.62
AR P10275 2/20 0.62
NPC1 O15118 2/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61

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
SCHEMBL18154594 0.99 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL28026514 0.96 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL8187998 0.92 MAOB (0.68) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL18898659 0.88 MAOB (0.73) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL10063475 0.87 MAOB (0.74) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL6874186 0.86 MAOB (0.71) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL11474761 0.86 MAOB (0.71) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL12617399 0.85 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL18312160 0.85 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL6591353 0.85 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104829601-A Coumarin derivative, preparation method and application of same LANZHOU CHEM PHYS INST 2015-08-12 CN claimed
CN-117327065-A Carbazole derivatives as dopamine D2/3 receptor modulators 北京大学 2024-01-02 CN disclosed
CN-107602518-B Coumarin-dithiocarbamate derivative and synthesis method thereof 广西壮族自治区肿瘤防治研究所 2020-01-24 CN disclosed
CN-107737126-B Application of coumarin-dithiocarbamate derivative in pharmacy 广西壮族自治区肿瘤防治研究所 2020-01-24 CN disclosed
CN-104829601-A Coumarin derivative, preparation method and application of same LANZHOU CHEM PHYS INST 2015-08-12 CN disclosed
CN-103254219-B Copper fluoride (I) reagent as well as preparation method and application thereof UNIV FUZHOU 2015-06-03 CN disclosed
US-6689799-B1 NON-NUCLEOSIDE-DERIVATIVE VIRICIDES REPHARTOX (NL) 2004-02-10 US disclosed
EP-1214315-B9 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2004-01-02 EP disclosed
EP-1214315-B1 1,4-DIHYDROPYRIDINE-5-CARBOXYLIC ACID ESTER DERIVATIVES AND METHOD FOR THE PREPARATION THEREOF REPHARTOX (NL) 2003-05-02 EP disclosed