SCHEMBL3716611

SCHEMBL3716611

CCCc1cn2ccsc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TSHR P16473 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL1586014 0.88 MAPT (0.49) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL18782773 0.87 MAPT (0.48) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL19300326 0.87 MAPT (0.48) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL12535906 0.85 ALDH1A1 (0.53) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL9597093 0.82 ALDH1A1 (0.53) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL9570044 0.82 ALDH1A1 (0.53) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL24777123 0.81 POLB (0.57) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL9965992 0.79 TP53 (0.51) POLBALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL4764484 0.78 NPC1 (0.56) MAPTPOLBALDH1A1SMN1; SMN2TSHR
SCHEMBL2386978 0.78 SMN1; SMN2 (0.53) POLBALDH1A1SMN1; SMN2TSHRNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131147-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131146-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 WO disclosed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 US disclosed
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed