SCHEMBL6373689

SCHEMBL6373689

CCc1nnc(NC(=O)/C(C#N)=C\c2ccc(O)c(O)c2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 7/20 0.66
▸ ESRRA P11474 7/20 0.59
▸ EGFR P00533 6/20 0.58
▸ ERBB2 P04626 3/20 0.58
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56
▸ SRPK1 Q96SB4 1/20 0.56
▸ DNM1 Q05193 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ ALOX12 P18054 2/20 0.56
▸ NFKB1 P19838 2/20 0.56

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
SCHEMBL6373692 1.00 CSNK2A1 (0.66) CSNK2A1ESRRAEGFRERBB2CSNK2A2
SCHEMBL6378603 0.91 CSNK2A1 (0.77) CSNK2A1ESRRAEGFRERBB2CSNK2A2
SCHEMBL6378608 0.91 CSNK2A1 (0.77) CSNK2A1ESRRAEGFRERBB2CSNK2A2
SCHEMBL6375707 0.89 ESRRA (0.69) CSNK2A1ESRRAEGFRCSNK2A2CSNK2B
SCHEMBL6372526 0.89 CSNK2A1 (0.77) CSNK2A1ESRRACSNK2A2CSNK2BCSNK2A3
SCHEMBL6372523 0.89 CSNK2A1 (0.77) CSNK2A1ESRRACSNK2A2CSNK2BCSNK2A3
SCHEMBL6375704 0.89 ESRRA (0.69) CSNK2A1ESRRAEGFRCSNK2A2CSNK2B
SCHEMBL6375659 0.88 ESRRA (0.59) CSNK2A1ESRRACSNK2A2CSNK2BCSNK2A3
SCHEMBL6375661 0.88 ESRRA (0.59) CSNK2A1ESRRACSNK2A2CSNK2BCSNK2A3
SCHEMBL6373841 0.87 CSNK2A1 (0.78) CSNK2A1ESRRACSNK2A2CSNK2BCSNK2A3

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 2 patents. 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 claimed
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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