SCHEMBL8237977

SCHEMBL8237977

COc1cc(NC(=O)c2cc(C)c(OCCN)c(C)c2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 7/20 0.65
▸ P4HTM Q9NXG6 1/20 0.52
▸ ATM Q13315 1/20 0.50
▸ ABCB1 P08183 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ STAT3 P40763 1/20 0.46
▸ CISD2 Q8N5K1 1/20 0.46

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
SCHEMBL16681578 0.79 ATM (0.68) P4HTMATMABCB1SMN1; SMN2MEN1
SCHEMBL8235500 0.79 PLAU (1.00) PLAU
SCHEMBL8237950 0.78 PLAU (0.65) PLAUSMN1; SMN2
SCHEMBL16675161 0.76 ABCB1 (0.68) P4HTMATMABCB1SMN1; SMN2MEN1
SCHEMBL16675167 0.76 ABCB1 (0.68) P4HTMATMABCB1SMN1; SMN2MEN1
SCHEMBL8235966 0.76 PLAU (0.59) PLAUMEN1KMT2AALDH1A1LMNA
SCHEMBL8229664 0.76 PLAU (0.72) PLAUSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8235561 0.75 PLAU (0.87) PLAU
SCHEMBL4841395 0.75 PLAU (0.54) PLAULMNAMAPTGFER
SCHEMBL5591691 0.74 PLAU (0.84) PLAUKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 — — WO disclosed
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