SCHEMBL6205490

SCHEMBL6205490

COC(O)Cc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
PYCR1 P32322 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
SCHEMBL2478903 0.80 IDO1 (0.45) IDO1PPARGPPARATAAR1ALDH1A1
SCHEMBL6205489 0.78 IDO1 (0.44) IDO1PPARGPPARATAAR1ALDH1A1
SCHEMBL6205188 0.78 LMNA (0.43) PPARGPPARATAAR1ALDH1A1CYP3A4
SCHEMBL15319327 0.78 TAAR1 (0.44) IDO1PPARGPPARATAAR1CYP2C19
SCHEMBL29679614 0.78 TAAR1 (0.44) IDO1PPARGPPARATAAR1CYP2C19
SCHEMBL14997308 0.78 TAAR1 (0.44) IDO1PPARGPPARATAAR1CYP2C19
SCHEMBL625240 0.78 TAAR1 (0.44) IDO1PPARGPPARATAAR1CYP2C19
SCHEMBL10701084 0.77 TAAR1 (0.46) IDO1PPARGPPARATAAR1ALDH1A1
SCHEMBL24272357 0.77 IDO1 (0.42) IDO1TAAR1ALDH1A1CYP3A4CYP2C19
SCHEMBL6206376 0.77 IDO1 (0.48) IDO1TAAR1ALDH1A1KMT2AMEN1

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