SCHEMBL7649936

SCHEMBL7649936

COC(=O)c1ccc(CC(=O)Nc2ccc(C(=O)Nc3ccc(C=Cc4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
PTPN1 P18031 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.50
LMNA P02545 4/20 0.49
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PSMD14 O00487 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47

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
SCHEMBL7646106 0.86 RAB9A (0.57) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7644901 0.85 RAB9A (0.58) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7646346 0.82 ALDH1A1 (0.53) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL2834528 0.81 PTPN1 (0.73) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7646488 0.79 KMT2A (0.55) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7526766 0.79 KMT2A (0.55) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7646483 0.79 KMT2A (0.55) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7526018 0.79 ALDH1A1 (0.52) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL7526004 0.79 ALDH1A1 (0.52) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL22196106 0.78 KMT2A (0.78) NPC1RAB9AKMT2AMEN1ALDH1A1

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
US-6479548-B2 P-(BENZOYLAMINO)STILBENE DERIVATIVES TELIK, INC. 2002-11-12 US disclosed