SCHEMBL6204786

SCHEMBL6204786

[O]C(F)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 3/20 0.41
GBA1 P04062 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.39
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
HSD11B1 P28845 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL29427058 0.83 IDO1 (0.47) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL248466 0.83 IDO1 (0.47) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL6204787 0.79 IDO1 (0.44) IDO1TDO2ALDH1A1MAPK1PARP1
SCHEMBL17922061 0.79 IDO1 (0.44) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL4209186 0.79 IDO1 (0.48) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL3711395 0.79 ALDH1A1 (0.44) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL28920974 0.79 IDO1 (0.44) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL3456691 0.79 ALDH1A1 (0.45) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL7755282 0.79 ALDH1A1 (0.45) IDO1TDO2ALDH1A1GBA1MAPK1
SCHEMBL3456122 0.79 ALDH1A1 (0.45) IDO1TDO2ALDH1A1GBA1MAPK1

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-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed