SCHEMBL6380179

SCHEMBL6380179

CCc1nnc(NC(=O)C(C#N)=Cc2cc(O)ccc2[N+](=O)[O-])s1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 4/20 0.54
▸ EGFR P00533 1/20 0.48
▸ ESRRA P11474 7/20 0.47
▸ FTO Q9C0B1 2/20 0.45
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ GPR55 Q9Y2T6 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
SCHEMBL6380176 1.00 CSNK2A1 (0.54) CSNK2A1EGFRESRRAFTOMEN1
SCHEMBL6374698 0.88 HPGD (0.56) CSNK2A1ESRRAFTOMEN1KMT2A
SCHEMBL6374694 0.88 HPGD (0.56) CSNK2A1ESRRAFTOMEN1KMT2A
SCHEMBL6375854 0.86 ESRRA (0.51) CSNK2A1EGFRESRRAMEN1KMT2A
SCHEMBL6375857 0.86 ESRRA (0.51) CSNK2A1EGFRESRRAMEN1KMT2A
SCHEMBL6373841 0.83 CSNK2A1 (0.78) CSNK2A1ESRRAFTOMEN1KMT2A
SCHEMBL6373838 0.83 CSNK2A1 (0.78) CSNK2A1ESRRAFTOMEN1KMT2A
SCHEMBL6381013 0.83 CSNK2A1 (0.50) CSNK2A1ESRRAFTOMEN1KMT2A
SCHEMBL6381011 0.83 CSNK2A1 (0.50) CSNK2A1ESRRAFTOMEN1KMT2A
SCHEMBL6374579 0.83 CSNK2A1 (0.48) CSNK2A1ESRRAFTOMEN1KMT2A

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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