SCHEMBL11060440

SCHEMBL11060440

O=C1Nc2cccc3c(Sc4ccccc4)ccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 4/20 0.50
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KDR P35968 1/20 0.42
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ MCL1 Q07820 4/20 0.41
▸ RORC P51449 2/20 0.41
▸ BCL2L11 O43521 1/20 0.41
▸ BCL2L1 Q07817 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ POLB P06746 3/20 0.40
▸ CASP1 P29466 3/20 0.40
▸ CASP7 P55210 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11809624 0.94 BCL2 (0.50) BCL2MAOAMAOBCDK5CDK5R1
SCHEMBL11695692 0.87 KDR (0.41) BCL2MAOAMAOBKDRCDK5
SCHEMBL11674909 0.82 BCL2 (0.59) BCL2MAOAMAOBMCL1BCL2L11
SCHEMBL10952664 0.80 KDR (0.48) KDRCDK5CDK5R1KDM4EPOLB
SCHEMBL11633105 0.79 ADORA2A (0.41) BCL2MAOAMAOBKDRCDK5
Trifluoromethanesulfonic Acid SCHEMBL17726790 0.77 BCL2 (0.51) BCL2MAOAMAOBMCL1BCL2L11
SCHEMBL21501553 0.75 BCL2 (0.62) BCL2MAOAMAOBMCL1BCL2L11
SCHEMBL17726858 0.74 BCL2 (0.48) BCL2MAOAMAOBMCL1BCL2L11
SCHEMBL11346047 0.74 BCL2 (0.60) BCL2MCL1BCL2L11BCL2L1KDM4E
SCHEMBL7307793 0.74 CDK5 (0.54) KDRCDK5CDK5R1RORCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451398-A Dyes containing imidazolymethylene groups BASF AKTIENGESELLSCHAFT (DE) 1984-05-29 — — US disclosed
US-4268668-A FOR WOOL AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
EP-0025936-A1 Naphtholactam derivatives and their use as dyestuffs BASF Aktiengesellschaft (DE) 1981-04-01 — — EP disclosed
US-4096145-A DYES FOR RESINS AND POLYESTER TEXTILES BASF AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
US-3963747-A Basic arylmercaptonaphtholactam dyes BASF AKTIENGESELLSCHAFT (DT) 1976-06-15 — — US disclosed
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