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SCHEMBL17860426

SCHEMBL17860426

CN(CC#N)c1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NC3Cc4ccccc4C3)O[C@H]1CO2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 5/20 0.52
▸ CASP6 P55212 1/20 0.48
▸ PLCG1 P19174 4/20 0.48
▸ PLCB3 Q01970 4/20 0.48
▸ TSHR P16473 1/20 0.32
▸ MTNR1A P48039 2/20 0.31
▸ MTNR1B P49286 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL17860357 0.90 PAX8 (0.56) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860422 0.89 PAX8 (0.49) PAX8CASP6PLCG1PLCB3
SCHEMBL17860413 0.88 PAX8 (0.57) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860386 0.87 PAX8 (0.51) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860439 0.87 PAX8 (0.55) PAX8CASP6PLCG1PLCB3
SCHEMBL17860438 0.87 PAX8 (0.51) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860423 0.87 PAX8 (0.51) PAX8CASP6PLCG1PLCB3TSHR
SCHEMBL17860513 0.86 PAX8 (0.51) PAX8CASP6PLCG1PLCB3
SCHEMBL17860425 0.86 PAX8 (0.49) PAX8CASP6PLCG1PLCB3MTNR1A
SCHEMBL17860304 0.85 PAX8 (0.49) PAX8CASP6PLCG1PLCB3

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-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 — — WO disclosed