SCHEMBL6273203

SCHEMBL6273203

COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccccc2C(=O)O)C=C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NLRP3 Q96P20 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 2/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL5697144 0.87 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL5697245 0.80 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTRAB9ANPSR1
SCHEMBL5697075 0.80 KDM6B (0.51) SMN1; SMN2ALDH1A1MAPTRAB9APOLB
SCHEMBL5697273 0.75 GAA (0.46) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL5922862 0.71 NPC1 (0.53) MAPTRAB9AKMT2AMEN1L3MBTL1
SCHEMBL22411030 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTRAB9ANPSR1
SCHEMBL9370863 0.70 ALDH1A1 (0.88) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6171613 0.70 RAB9A (1.00) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6273198 0.69 HDAC3 (0.54) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E
SCHEMBL30034264 0.68 SMN1; SMN2 (0.88) SMN1; SMN2ALDH1A1MAPTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 EP disclosed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed