SCHEMBL11145759

SCHEMBL11145759

CCC(C)C(=O)Nc1nn(C)c2c1sc1cc(N)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ MMP12 P39900 1/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ CASP1 P29466 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL11148572 0.78 BTK (0.43) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL11150491 0.76 HSD17B10 (0.41) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL11145581 0.71 MEN1 (0.52) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL11153753 0.69 MAPT (0.43) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL11151333 0.68 MAPT (0.39) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL11149542 0.66 PARP14 (0.47) RAB9AALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11147960 0.66 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1HPGDHSD17B10
SCHEMBL11334717 0.66 THRB (0.44) ALDH1A1HPGDTHRBHSD17B10KDM4E
SCHEMBL11216887 0.64 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL11149698 0.64 EP300 (0.45) ALDH1A1HPGDHSD17B10KDM4ECASP1

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
Send feedback