SCHEMBL17860407

SCHEMBL17860407

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCCc3cccnc3)CC[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 13)

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
HIF1A Q16665 6/20 0.42
EPAS1 Q99814 6/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DDR1 Q08345 1/20 0.38
DDR2 Q16832 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL17860393 0.93 PLCG1 (0.64) PLCG1PLCB3PAX8CASP6HIF1A
SCHEMBL17860399 0.92 PLCG1 (0.65) PLCG1PLCB3PAX8CASP6HIF1A
SCHEMBL17860403 0.88 PLCG1 (0.61) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860364 0.87 PLCG1 (0.67) PLCG1PLCB3PAX8CASP6HIF1A
SCHEMBL17860347 0.84 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6HIF1A
SCHEMBL17860327 0.83 CASP6 (0.73) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860353 0.82 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860436 0.82 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860410 0.82 PLCG1 (0.75) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860472 0.82 PLCG1 (0.59) PLCG1PLCB3PAX8CASP6MEN1

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