SCHEMBL30909385

SCHEMBL30909385

COc1cc(C#N)ccc1Sc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.56
MAOA P21397 5/20 0.56
AR P10275 8/20 0.46
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STK10 O94804 2/20 0.37
SLK Q9H2G2 2/20 0.37
MCL1 Q07820 2/20 0.37
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL29134917 0.82 MAOB (0.56) MAOBMAOAARALDH1A1GAA
SCHEMBL29337065 0.78 MAOB (0.62) MAOBMAOAARALDH1A1MAPT
SCHEMBL4418551 0.76 AR (0.49) ARALDH1A1MAPT
SCHEMBL2731932 0.75 AR (0.66) MAOBMAOAARL3MBTL1
SCHEMBL31345544 0.75 ALDH1A1 (0.56) ARALDH1A1GAAMAPTHPGD
SCHEMBL29134924 0.73 AR (0.44) MAOBMAOAARSTK10SLK
SCHEMBL20132302 0.73 MAOB (1.00) MAOBMAOAALDH1A1MCL1
SCHEMBL29134408 0.72 AR (0.52) MAOBMAOAARALDH1A1GAA
SCHEMBL30376409 0.72 AR (0.51) ARALDH1A1MAPTL3MBTL1
SCHEMBL364484 0.72 AR (0.51) ARALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700967-A Flame-retardant unsaturated polyester resin composition and preparation method thereof 鑫双利(惠州)树脂有限公司 2024-03-15 CN claimed
CN-117700967-A Flame-retardant unsaturated polyester resin composition and preparation method thereof 鑫双利(惠州)树脂有限公司 2024-03-15 CN disclosed