SCHEMBL11155492

SCHEMBL11155492

Cn1nc(NC(=O)CCCl)c2sc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 9/20 0.41
▸ MAPT P10636 8/20 0.41
▸ THRB P10828 1/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11153753 0.87 MAPT (0.43) TP53MAPTRXFP1POLBMEN1
SCHEMBL11149698 0.85 EP300 (0.45) TP53MAPTRXFP1POLBTLR8
SCHEMBL11342323 0.83 THRB (0.37) TP53MAPTTHRBPOLBTLR8
SCHEMBL11149542 0.83 PARP14 (0.47) TP53MAPTRXFP1POLBMEN1
SCHEMBL11216887 0.80 ALDH1A1 (0.48) TP53MAPTRXFP1POLBMEN1
SCHEMBL11149916 0.80 TP53 (0.39) TP53MAPTRXFP1POLBMEN1
SCHEMBL11147960 0.79 ALDH1A1 (0.38) TP53MAPTRXFP1POLBMEN1
SCHEMBL11151333 0.76 MAPT (0.39) TP53MAPTRXFP1POLBMEN1
SCHEMBL11144647 0.75 RAB9A (0.43) TP53MAPTPOLBMEN1KMT2A
SCHEMBL11149532 0.74 KDM4E (0.51) TP53MAPTPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005357-B1 N-(BENZOTHIENOPYRAZOL)-AMIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-02-09 — — EP disclosed
EP-0005357-A1 N-(Benzothienopyrazol)-amides and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-11-14 — — EP disclosed
US-4140785-A N-(benzothienopyrazol)amide antirhinoviral agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-02-20 — — US disclosed
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