SCHEMBL14243227

SCHEMBL14243227

Bc1cnc(O)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.52
PTGS1 P23219 5/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NTRK1 P04629 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
STAT3 P40763 1/20 0.43

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
SCHEMBL5846612 0.84 GPR35 (0.53) DEGS1PTGS1KCNQ3KCNQ2KCNE1
SCHEMBL1026009 0.81 KDR (0.55) DEGS1PTGS1KCNQ3KCNQ2KCNE1
SCHEMBL15850231 0.70 MAPT (0.49) DEGS1KMT2AMEN1NPC1LMNA
SCHEMBL31013252 0.69 KDR (0.54) KCNQ3KCNQ2KCNE1KCNQ1KMT2A
SCHEMBL20284467 0.69 DEGS1 (1.00) DEGS1PTGS1TRPV1
SCHEMBL5645475 0.69 KCNQ3 (0.72) DEGS1PTGS1KCNQ3KCNQ2KCNE1
SCHEMBL19474952 0.68 CYP1A2 (0.50) KMT2AMEN1MAPTKDM4ERXFP1
SCHEMBL19475066 0.68 PTPN5 (0.48) KMT2AMEN1LMNAKDM4E
SCHEMBL1027433 0.68 KDR (0.58) PTGS1KMT2AMEN1NPC1LMNA
SCHEMBL14243236 0.68 GPR35 (0.59) PTGS1KMT2AMEN1NPC1LMNA

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-2012170867-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2012-12-13 WO disclosed