SCHEMBL6201417

SCHEMBL6201417

COC([O])Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
KCNH2 Q12809 2/20 0.38
AOC3 Q16853 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL6205184 0.78 LMNA (0.43) IDO1PPARGPPARATAAR1LMNA
SCHEMBL6205489 0.78 IDO1 (0.44) IDO1PPARGPPARATAAR1ALDH1A1
SCHEMBL6203907 0.78 SMN1; SMN2 (0.36) TAAR1LMNAALDH1A1KMT2ASLC6A2
SCHEMBL6204303 0.78 IDO1 (0.46) IDO1ALDH1A1MAOB
SCHEMBL6205089 0.78 DPP4 (0.47)
SCHEMBL6205165 0.77 PPARG (0.43) IDO1PPARGPPARATAAR1LMNA
SCHEMBL6206375 0.77 IDO1 (0.48) IDO1TAAR1ALDH1A1KMT2ACYP2D6
SCHEMBL6201421 0.77 IDO1 (0.42) IDO1PPARGPPARATAAR1LMNA
SCHEMBL6203600 0.77 IDO1 (0.47) IDO1PPARGPPARAALDH1A1MAOB
SCHEMBL15331885 0.77 IDO1 (0.39) IDO1PPARGPPARATAAR1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
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