SCHEMBL6373841

SCHEMBL6373841

CCc1nnc(NC(=O)C(C#N)=Cc2ccc(O)c([N+](=O)[O-])c2)s1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 8/20 0.78
▸ MAPT P10636 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HTT P42858 1/20 0.57
▸ ESRRA P11474 7/20 0.54
▸ FTO Q9C0B1 2/20 0.54
▸ CSNK2A2 P19784 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A3 Q8NEV1 1/20 0.51
▸ SRPK1 Q96SB4 1/20 0.51

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
SCHEMBL6373838 1.00 CSNK2A1 (0.78) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6373692 0.87 CSNK2A1 (0.66) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6373689 0.87 CSNK2A1 (0.66) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6375844 0.85 EGFR (0.64) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6375848 0.85 EGFR (0.64) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6378603 0.85 CSNK2A1 (0.77) CSNK2A1ALDH1A1MEN1KMT2AESRRA
SCHEMBL6378608 0.85 CSNK2A1 (0.77) CSNK2A1ALDH1A1MEN1KMT2AESRRA
SCHEMBL6380179 0.83 CSNK2A1 (0.54) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6380176 0.83 CSNK2A1 (0.54) CSNK2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL6372526 0.83 CSNK2A1 (0.77) CSNK2A1MAPTALDH1A1MEN1KMT2A

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
Send feedback