SCHEMBL11145581

SCHEMBL11145581

CC(=O)Nc1nn(C)c2c1sc1cc(C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ CASP1 P29466 4/20 0.49
▸ CASP7 P55210 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ DYRK1A Q13627 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ BCL2L1 Q07817 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL11158332 0.84 PABPC1 (0.43) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL11149542 0.83 PARP14 (0.47) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL11144388 0.82 MEN1 (0.40) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL11146665 0.74 MAPT (0.38) HSD17B10MAPTKDM4ELMNAALDH1A1
SCHEMBL11150491 0.74 HSD17B10 (0.41) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL11344205 0.72 TP53 (0.41) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL11145759 0.71 RAB9A (0.36) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL11216887 0.70 ALDH1A1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11153753 0.70 MAPT (0.43) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL16273208 0.68 ALDH1A1 (0.44) MEN1KMT2AMAPTKDM4EALDH1A1

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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