SCHEMBL3237969

SCHEMBL3237969

NC(=O)C(CF)(Oc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNN4 O15554 8/20 0.41
HTT P42858 1/20 0.39
PARP10 Q53GL7 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
EPHX1 P07099 1/20 0.35
ALOX15 P16050 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KIF11 P52732 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL9191857 0.75 ESR1 (0.42) MAPTKMT2ACHRM2CHRM3KIF11
SCHEMBL17968475 0.74 MAPT (0.46) MAPTKMT2AKCNN4HTTPARP10
SCHEMBL28147152 0.72 CYP2C19 (0.47) KCNN4ALOX15PPARGPPARA
SCHEMBL27602772 0.71 MAPT (0.50) MAPTKMT2AKCNN4HTTCHRM2
SCHEMBL1170319 0.71 PARP10 (0.42) MAPTKMT2AKCNN4PARP10EPHX1
SCHEMBL27757832 0.70 MAPT (0.55) MAPTKMT2AKCNN4HTTPARP10
SCHEMBL7924474 0.70 CES1 (0.44) MAPTKMT2AKCNN4ALOX15
SCHEMBL20773030 0.70 KIF11 (0.40) MAPTKMT2AKIF11
SCHEMBL22187026 0.70 KIF11 (0.44) MAPTEPHX1KIF11
SCHEMBL26135574 0.70 CYP2C19 (0.44) KCNN4ALOX15PPARGPPARAMMP1

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-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed