SCHEMBL11149960

SCHEMBL11149960

CC(C)C(=O)Nc1nn(C)c2c1sc1cccc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LIMK1 P53667 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ OGG1 O15527 1/20 0.36
▸ TYK2 P29597 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL11148719 0.83 KDM4E (0.43) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL11150491 0.77 HSD17B10 (0.41) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16006510 0.73 KDM4E (0.45) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL17697553 0.72 CASP1 (0.40) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL11151333 0.71 MAPT (0.39) MAPTKDM4EHSD17B10ALDH1A1POLB
SCHEMBL19788774 0.71 CASP1 (0.38) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL11149542 0.67 PARP14 (0.47) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL17621512 0.66 CASP1 (0.34) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16006485 0.65 MAPT (0.37) MAPTKDM4ECASP1CASP7HSD17B10
SCHEMBL16006561 0.65 MAPT (0.37) MAPTKDM4ECASP1CASP7HSD17B10

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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