SCHEMBL14600232

SCHEMBL14600232

CCc1cc(Nc2ccc(OC(F)(F)F)cc2C(=O)O)n(-c2ncccc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.46
TP53 P04637 1/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.39
ADORA1 P30542 7/20 0.38
P2RY1 P47900 1/20 0.38
GFER P55789 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
RUNX1 Q01196 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL14600249 0.90 ADORA1 (0.41) DHODHTP53IGF2BP2ADORA1GFER
SCHEMBL14600467 0.86 DHODH (0.41) DHODHTP53IGF2BP2ADORA1ADORA3
SCHEMBL4664691 0.85 ADORA1 (0.43) DHODHADORA1MEN1KMT2AHTT
SCHEMBL14600207 0.84 TP53 (0.41) DHODHTP53IGF2BP2ADORA1P2RY1
SCHEMBL14600223 0.83 ADORA1 (0.43) DHODHIGF2BP2ADORA1GFERADORA3
SCHEMBL14600222 0.83 DHODH (0.44) DHODHTP53IGF2BP2ADORA1LMNA
SCHEMBL14600195 0.83 DHODH (0.42) DHODHTP53IGF2BP2ADORA1P2RY1
SCHEMBL14600220 0.82 DHODH (0.46) DHODHADORA1ADORA3MEN1KMT2A
SCHEMBL14600440 0.81 ADORA1 (0.50) DHODHTP53IGF2BP2ADORA1ADORA3
SCHEMBL14600266 0.79 ADORA1 (0.54) DHODHIGF2BP2ADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed