SCHEMBL7646703

SCHEMBL7646703

COC(=O)c1ccc(N(C(C)=O)c2ccc(N(C(C)=O)c3ccc(/C=C/c4ccc(C(=O)O)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 4/20 0.46
MAPT P10636 4/20 0.46
XDH P47989 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.42
MAOB P27338 1/20 0.42
NOTUM Q6P988 1/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
CASP3 P42574 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL7646108 1.00 PTPN1 (0.51) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL7037519 0.91 MEN1 (0.53) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL7526018 0.90 ALDH1A1 (0.52) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL7526004 0.90 ALDH1A1 (0.52) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL7646101 0.88 ALDH1A1 (0.42) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL13347435 0.86 PTPN1 (0.65) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL7646106 0.85 RAB9A (0.57) ALDH1A1KMT2AMEN1LMNANPC1
SCHEMBL7646207 0.82 NOTUM (0.50) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL7646203 0.82 NOTUM (0.50) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL7646103 0.82 NOTUM (0.50) PTPN1ALDH1A1KMT2AMEN1LMNA

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