SCHEMBL7436909

SCHEMBL7436909

Cc1c(N)ccc(CC(CS)C(=O)Nc2cccc(C(=O)O)c2)c1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
FOLH1 Q04609 1/20 0.42
CASR P41180 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 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
SCHEMBL7424237 0.87 MEN1 (0.44) ALDH1A1FNTAFNTBPGGT1BKMT2A
SCHEMBL7427703 0.79 FOLH1 (0.52) ALDH1A1FOLH1KMT2AMEN1
SCHEMBL7427744 0.78 PPARA (0.48) ALDH1A1FNTAFNTBPGGT1BANPEP
SCHEMBL7426722 0.78 ALDH1A1 (0.54) ALDH1A1FNTAFNTBPGGT1BFOLH1
SCHEMBL391430 0.78 FOLH1 (0.60) ALDH1A1ANPEPENPEPFOLH1NPC1
SCHEMBL7434454 0.77 FOLH1 (0.59) ALDH1A1ANPEPENPEPFOLH1NPC1
SCHEMBL7435223 0.74 FOLH1 (0.52) ALDH1A1ANPEPENPEPFOLH1
SCHEMBL7433519 0.74 NPC1 (0.53) ALDH1A1FOLH1SMN1; SMN2NPC1RAB9A
SCHEMBL7431248 0.74 FOLH1 (0.49) ALDH1A1ANPEPENPEPFOLH1SMN1; SMN2
SCHEMBL7435388 0.73 NPC1 (0.52) ALDH1A1FOLH1SMN1; SMN2NPC1RAB9A

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
EP-0318859-A2 N-substituted mercaptopropanamide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-07 EP disclosed