SCHEMBL6379899

SCHEMBL6379899

CCc1nnc(NC(=O)/C(C#N)=C/c2cc(OC)c(O)c(OC)c2)s1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 7/20 0.65
▸ CSNK2A1 P68400 4/20 0.61
▸ CSNK2A2 P19784 1/20 0.57
▸ CSNK2B P67870 1/20 0.57
▸ CSNK2A3 Q8NEV1 1/20 0.57
▸ SRPK1 Q96SB4 1/20 0.57
▸ DNM1 Q05193 5/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ EGFR P00533 2/20 0.50

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
SCHEMBL6379909 1.00 ESRRA (0.65) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6372564 0.96 ESRRA (0.63) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6372570 0.96 ESRRA (0.63) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6375942 0.93 ESRRA (0.60) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6375944 0.93 ESRRA (0.60) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6375844 0.91 EGFR (0.64) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6375848 0.91 EGFR (0.64) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6372526 0.89 CSNK2A1 (0.77) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6372523 0.89 CSNK2A1 (0.77) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6375882 0.89 ESRRA (0.77) ESRRACSNK2A1CSNK2A2CSNK2BCSNK2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005072731-A1 3-PHENYL-N- ((1, 3, 4) THIADIAZOL-2-YL) -ACRYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ESTROGEN-RELATED RECEPTORS FOR THE TREATMENT OF E.G. CANCER, RHEUMATOID ARTHRITIS OR NEUROLOGICAL DISORDERS X-CEPTOR THERAPEUTICS, INC. (US) 2005-08-11 — — WO disclosed
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