SCHEMBL6202479

SCHEMBL6202479

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 1/20 0.38
GLS O94925 1/20 0.37
CTSA P10619 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PARP1 P09874 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL6202481 0.83 SLC6A2 (0.48) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL6204441 0.80 CES2 (0.47) IDO1TDO2SLC6A2SLC6A4
SCHEMBL5831467 0.79 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL17660051 0.79 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL30153478 0.79 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL8257633 0.79 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL5858340 0.76 IDO1 (0.43) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL7605334 0.76 IDO1 (0.47) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL27689825 0.76 IDO1 (0.46) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL16962177 0.75 IDO1 (0.46) IDO1TDO2SLC6A2SLC6A4CYP3A4

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