SCHEMBL7645358

SCHEMBL7645358

COC(=O)c1ccc(N(C(C)=O)c2ccc(N(C=O)c3ccc(/C=C/c4ccccc4)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.35
MAPT P10636 4/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ROCK2 O75116 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33

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
SCHEMBL7528772 0.83 PTPN1 (0.46) KMT2AMEN1PTPN1HSD17B10RAB9A
SCHEMBL7528779 0.83 PTPN1 (0.46) KMT2AMEN1PTPN1HSD17B10RAB9A
SCHEMBL7646703 0.77 PTPN1 (0.51) KMT2AMEN1PTPN1RAB9ANPC1
SCHEMBL7646108 0.77 PTPN1 (0.51) KMT2AMEN1PTPN1RAB9ANPC1
SCHEMBL7529027 0.76 SNCA (0.43) KMT2AMEN1PTPN1RAB9ANPC1
SCHEMBL7529037 0.76 SNCA (0.43) KMT2AMEN1PTPN1RAB9ANPC1
SCHEMBL7648645 0.71 PTPN1 (0.44) KMT2AMEN1PTPN1RAB9ANPC1
SCHEMBL7534165 0.71 PTPN1 (0.44) KMT2AMEN1PTPN1RAB9ANPC1
SCHEMBL7528775 0.71 PTPN1 (0.46) KMT2AMEN1PTPN1HSD17B10RAB9A
SCHEMBL7037519 0.71 MEN1 (0.53) KMT2AMEN1HSD17B10RAB9ANPC1

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