SCHEMBL12425499

SCHEMBL12425499

CSc1c(F)cc(C)cc1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24248786 0.84 SELL (0.48) SELLSELPSELEMEN1LMNA
SCHEMBL776662 0.80 RAPGEF4 (0.33) RAPGEF4ALDH1A1
SCHEMBL12410554 0.78
SCHEMBL11944942 0.76 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL3112802 0.76 DGAT1 (0.30)
SCHEMBL13087969 0.76
SCHEMBL15109864 0.76 TAAR1 (0.39) MEN1LMNATP53GAAMAPT
SCHEMBL19574353 0.74 HDAC1 (0.34) SELLSELPSELERAPGEF4NFE2L2
SCHEMBL12390578 0.72 GABRA1 (0.37) MEN1GAAMAPTHPGDALOX15
SCHEMBL30748398 0.72 TAAR1 (0.47) ALDH1A1

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
WO-2013062837-A1 PIPERIDINE DERIVATIVES USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2011103509-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA BIOSCIENCES INC. (US) 2011-08-25 WO disclosed