SCHEMBL28049609

SCHEMBL28049609

Cc1cc(C(F)(F)F)nn1-c1cccc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 2/20 0.41
SCN9A Q15858 5/20 0.41
KLKB1 P03952 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPY5R Q15761 7/20 0.40
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
PTGS2 P35354 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
SCHEMBL28825739 0.84 TRPC3 (0.44) MAPTPTGS1ALDH1A1TSHRSTIM1
SCHEMBL17064591 0.81 NPY5R (0.50) POLBMAPTPTGS1SCN9AKLKB1
SCHEMBL14996588 0.81 NPY5R (0.54) SCN9AHPGDNPY5R
SCHEMBL31067434 0.81 NPY5R (0.50) POLBMAPTPTGS1SCN9AKLKB1
SCHEMBL21023817 0.81 NPY5R (0.48) POLBMAPTPTGS1SCN9AKLKB1
SCHEMBL30474516 0.81 MAPT (0.45) POLBMAPTALDH1A1HPGD
SCHEMBL3160401 0.81 MAPT (0.45) POLBMAPTALDH1A1HPGD
SCHEMBL25541066 0.79 CRACR2A (0.52) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4666357 0.79 PTGS1 (0.63) POLBMAPTPTGS1KDM4EALDH1A1
SCHEMBL29863856 0.77 MAPT (0.39) MAPTPTGS1SCN9AKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105188380-B LXR conditioning agents 百时美施贵宝公司 2017-08-15 CN disclosed
CN-105188380-A LXR modulators BRISTOL MYERS SQUIBB CO 2015-12-23 CN disclosed