SCHEMBL15924892

SCHEMBL15924892

NCCOc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
LTA4H P09960 2/20 0.51
PLA2G2A P14555 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
PDK2 Q15119 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
FGFR1 P11362 1/20 0.43
RPS6KA3 P51812 1/20 0.43
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL17447398 0.81 PTPN11 (0.54) LTA4HPDK2
SCHEMBL27990156 0.81 PTGS2 (0.54) LTA4HTP53RAB9APDK2SMN1; SMN2
SCHEMBL16854154 0.76 AKT1 (0.46) PDK2RPS6KA3
SCHEMBL4856586 0.76 MAOB (0.54) TAAR1LTA4HPLA2G2APDK2SMN1; SMN2
SCHEMBL4904165 0.76 TAAR1 (0.75) TAAR1LTA4HPLA2G2ATP53MAPK1
SCHEMBL19824579 0.76 DRD2 (0.49) CA12CA1CA2CA4CA9
SCHEMBL10673188 0.75 SIGMAR1 (0.52) PDK2
SCHEMBL27494752 0.75 CYP2C19 (0.51) RAB9ASMN1; SMN2
SCHEMBL13958753 0.75 TAAR1 (0.67) TAAR1LTA4HPLA2G2ATP53MAPK1
SCHEMBL9228754 0.75 HDAC8 (0.43) PDK2FGFR1

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
EP-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP claimed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO claimed