SCHEMBL7440591

SCHEMBL7440591

Cc1ccc(-c2c[nH]c(C(N)=NOS(C)(=O)=O)n2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.32
SLC9A1 P19634 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7434800 0.85 SLC9A1 (0.41) ALDH1A1SLC9A1PTGS2PTGS1NPC1
SCHEMBL7426997 0.84 MAPT (0.36) ALDH1A1SLC9A1MAPTLMNA
SCHEMBL7440169 0.81 SLC9A1 (0.41) ALDH1A1SLC9A1PTGS2MAPTPKM
SCHEMBL7432382 0.79 LMNA (0.39) ALPLCA9ALDH1A1PTGS2NPC1
SCHEMBL7432591 0.77 ALDH1A1 (0.37) ALPLCA9ALDH1A1PTGS2PTGS1
SCHEMBL7434507 0.76 ALPL (0.47) ALPLCA9ALDH1A1NPC1MAPT
SCHEMBL7440585 0.72 ALPL (0.37) ALPLCA9ALDH1A1PTGS2PTGS1
SCHEMBL7432377 0.66 ALPL (0.38) ALPLCA9ALDH1A1PTGS2NPC1
SCHEMBL7438866 0.62 SCN9A (0.41) ALDH1A1SLC9A1PTGS2PTGS1NPC1
SCHEMBL11049642 0.62 ALPL (0.42) ALPLCA9ALDH1A1PTGS2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed