SCHEMBL7646106

SCHEMBL7646106

COC(=O)c1ccc(N(C(C)=O)c2ccc(CC(=O)Nc3ccc(C=Cc4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
NPC1 O15118 2/20 0.57
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 7/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 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
SCHEMBL7646718 0.87 RAB9A (0.54) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7649936 0.86 NPC1 (0.63) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7526018 0.86 ALDH1A1 (0.52) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7526004 0.86 ALDH1A1 (0.52) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7646108 0.85 PTPN1 (0.51) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7646703 0.85 PTPN1 (0.51) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7648639 0.85 NPC1 (0.45) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7644888 0.84 PTPN1 (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7648595 0.81 MAPT (0.40) RAB9ANPC1KMT2AMEN1MAPK1
SCHEMBL7037519 0.78 MEN1 (0.53) RAB9ANPC1KMT2AMEN1MAPK1

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