SCHEMBL17860314

SCHEMBL17860314

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 4/20 0.62
PLCB3 Q01970 4/20 0.62
CASP6 P55212 1/20 0.60
PAX8 Q06710 4/20 0.56
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PTGS1 P23219 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL17860327 0.91 CASP6 (0.73) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860298 0.90 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860328 0.90 PLCG1 (0.64) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860379 0.88 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860445 0.88 PLCG1 (0.60) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860440 0.88 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860436 0.88 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860347 0.88 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860441 0.88 PLCG1 (0.62) PLCG1PLCB3CASP6PAX8MEN1
SCHEMBL17860353 0.88 PLCG1 (0.66) PLCG1PLCB3CASP6PAX8MEN1

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