SCHEMBL17860410

SCHEMBL17860410

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc4c(c3)OCO4)CC[C@@H]21

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.75
PLCB3 Q01970 4/20 0.75
PAX8 Q06710 5/20 0.61
CASP6 P55212 1/20 0.55
DOT1L Q8TEK3 2/20 0.43
TRPV1 Q8NER1 2/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17860364 0.91 PLCG1 (0.67) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860399 0.86 PLCG1 (0.65) PLCG1PLCB3PAX8CASP6NAMPT
SCHEMBL17860327 0.86 CASP6 (0.73) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860353 0.85 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860436 0.85 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860347 0.85 PLCG1 (0.66) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860393 0.85 PLCG1 (0.64) PLCG1PLCB3PAX8CASP6FLT1
SCHEMBL17860409 0.85 PAX8 (0.75) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860328 0.84 PLCG1 (0.64) PLCG1PLCB3PAX8CASP6MEN1
SCHEMBL17860435 0.83 PAX8 (0.67) 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