SCHEMBL17860403

SCHEMBL17860403

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3ccccn3)CC[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.61
PLCB3 Q01970 4/20 0.61
PAX8 Q06710 5/20 0.54
CASP6 P55212 1/20 0.52
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK14 Q16539 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NAMPT P43490 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL17860399 0.90 PLCG1 (0.65) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860393 0.90 PLCG1 (0.64) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860407 0.88 PLCG1 (0.61) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860364 0.86 PLCG1 (0.67) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860347 0.86 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860327 0.83 CASP6 (0.73) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860436 0.83 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860353 0.83 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL16980367 0.83 PAX8 (0.65) PLCG1PLCB3PAX8CASP6KMT2A
SCHEMBL17860468 0.83 PAX8 (0.65) PLCG1PLCB3PAX8CASP6KMT2A

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