SCHEMBL11149698

SCHEMBL11149698

CCCCCCC(=O)Nc1nn(C)c2c1sc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.45
▸ SOAT2 O75908 3/20 0.43
▸ SOAT1 P35610 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CETP P11597 1/20 0.41

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 0.86 MAPT (0.43) TP53ALDH1A1KDM4EHPGDCASP1
SCHEMBL11149532 0.72 KDM4E (0.51) TP53ALDH1A1KDM4EHPGDMAPK1
SCHEMBL11151333 0.72 MAPT (0.39) TP53ALDH1A1KDM4EHPGDRXFP1
SCHEMBL11342500 0.72 KMT2A (0.43) EP300SOAT2SOAT1TP53ALDH1A1
SCHEMBL11342323 0.70 THRB (0.37) TP53ALDH1A1KDM4ECASP1CASP7
SCHEMBL27622427 0.67 MAPT (0.77) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL20369717 0.67 MAPT (0.77) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL28937884 0.66 SMN1; SMN2 (0.61) EP300ALDH1A1KDM4EHPGDGAA
SCHEMBL24052759 0.66 TLR8 (0.86) EP300ALDH1A1KDM4EHPGDGAA
SCHEMBL3777911 0.66 SMN1; SMN2 (0.68) EP300SOAT2SOAT1ALDH1A1KDM4E

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