SCHEMBL11148719

SCHEMBL11148719

CC(C)C(=O)Nc1nn(C)c2c1sc1c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.38
▸ LIMK1 P53667 2/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ SSTR4 P31391 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL11149960 0.83 MAPT (0.40) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL11150491 0.78 HSD17B10 (0.41) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL11151333 0.72 MAPT (0.39) KDM4EHSD17B10MAPTPOLBKMT2A
SCHEMBL16006510 0.72 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL11156297 0.72 PRMT5 (0.36) SSTR4CCR4SMN1; SMN2
SCHEMBL19538939 0.69 KDM4E (0.54) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL17697553 0.68 CASP1 (0.40) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL11149542 0.68 PARP14 (0.47) KDM4ECASP1CASP7HSD17B10MAPT
SCHEMBL11334717 0.68 THRB (0.44) KDM4EHSD17B10KMT2AALDH1A1TP53
SCHEMBL19788774 0.67 CASP1 (0.38) KDM4ECASP1CASP7HSD17B10MAPT

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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