SCHEMBL9433145

SCHEMBL9433145

CN(C)c1c(C(=O)O)sc2cccc(Cl)c12

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.65
MAPK1 P28482 2/20 0.65
OGG1 O15527 1/20 0.48
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
STING1 Q86WV6 2/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
BCL2L1 Q07817 1/20 0.40
OPRM1 P35372 1/20 0.37

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
SCHEMBL9434315 0.87 MAPK1 (0.51) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL9434117 0.84 ALDH1A1 (0.49) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL15619314 0.80 MCL1 (0.71) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL1520807 0.79 MCL1 (1.00) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL15697615 0.76 MCL1 (0.76) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL26778431 0.76 MCL1 (0.65) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL17973604 0.74 MCL1 (0.57) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL22908882 0.74 MCL1 (0.67) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL28587713 0.73 MCL1 (0.56) MCL1MAPK1OGG1ALDH1A1KDM4E
SCHEMBL9433616 0.72 MCL1 (0.60) MCL1MAPK1OGG1ALDH1A1KDM4E

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-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed