SCHEMBL7543844

SCHEMBL7543844

CCCCCSc1nsc(NC(=O)NC)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.47
HAO1 Q9UJM8 1/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL7820566 0.91 NTRK1 (0.49) NTRK1RAB9ALMNANPC1HTT
SCHEMBL3089387 0.89 NTRK1 (0.59) NTRK1RAB9ALMNANPC1MAPK1
SCHEMBL7831508 0.88 HAO1 (0.40) NTRK1HAO1RAB9ALMNANPC1
SCHEMBL3089833 0.88 NTRK1 (0.58) NTRK1HAO1RAB9ALMNANPC1
SCHEMBL7830387 0.87 HAO1 (0.41) NTRK1HAO1RAB9ALMNANPC1
SCHEMBL7831837 0.85 KDR (0.44) NTRK1HAO1RAB9ALMNANPC1
SCHEMBL7827786 0.85 HAO1 (0.40) NTRK1HAO1RAB9ALMNANPC1
SCHEMBL7828201 0.84 KDR (0.43) HAO1RAB9ALMNANPC1MAPK1
SCHEMBL7829778 0.84 KDR (0.41) HAO1RAB9ALMNANPC1MAPK1
SCHEMBL7819682 0.83 KDR (0.41) HAO1RAB9ALMNANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US claimed
EP-1187826-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2002-03-20 EP claimed
WO-2000071532-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-11-30 WO claimed
US-6380214-B1 THIOPHENE-3-CARBOXYLIC ACID AMIDE DERIVATIVES PFIZER INC. 2002-04-30 US disclosed
EP-1187826-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2002-03-20 EP disclosed
WO-2000071532-A1 HETEROCYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-11-30 WO disclosed