SCHEMBL6379016

SCHEMBL6379016

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

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 15/20 0.75
▸ CSNK2A1 P68400 4/20 0.59
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CSNK2A2 P19784 1/20 0.56
▸ CSNK2B P67870 1/20 0.56
▸ CSNK2A3 Q8NEV1 1/20 0.56
▸ SRPK1 Q96SB4 1/20 0.56
▸ MAPT P10636 1/20 0.53

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
SCHEMBL6379018 1.00 ESRRA (0.75) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6375877 0.93 ESRRA (0.77) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6375882 0.93 ESRRA (0.77) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6372813 0.92 ESRRA (0.72) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6372811 0.92 ESRRA (0.72) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6380193 0.92 ESRRA (0.82) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6380198 0.92 ESRRA (0.82) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6375895 0.90 ESRRA (0.79) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6375892 0.90 ESRRA (0.79) ESRRACSNK2A1MEN1NPC1USP2
SCHEMBL6372875 0.90 ESRRA (0.78) ESRRACSNK2A1MEN1NPC1USP2

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
Send feedback