SCHEMBL2850337

SCHEMBL2850337

COc1ccc(C)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
PPARG P37231 1/20 0.40
S1PR4 O95977 1/20 0.39
PTGS2 P35354 3/20 0.39
NPBWR1 P48145 3/20 0.39
PTGS1 P23219 2/20 0.39
TSHR P16473 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MCHR1 Q99705 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL2850834 0.92 NTRK1 (0.45) MAPTPPARGS1PR4PTGS2NPBWR1
SCHEMBL2850809 0.91 MAPT (0.43) MAPTTSHRHTTNPSR1KMT2A
SCHEMBL2852353 0.91 RAB9A (0.44) MAPTHTTCYP1A2CYP3A4CYP2C19
SCHEMBL2852121 0.89 P2RX7 (0.43) MAPTNPBWR1MCHR1NPSR1MEN1
SCHEMBL2858533 0.85 ATM (0.47) MAPTPTGS2NPBWR1PTGS1TSHR
SCHEMBL2859508 0.85 CYP1A2 (0.46) MAPTPKMHTTCYP1A2CYP3A4
SCHEMBL2853465 0.85 RAB9A (0.44) MAPTHTTNPSR1ALDH1A1HPGD
SCHEMBL2858311 0.84 RAB9A (0.47) MAPTTSHRHTTCYP3A4CYP2C9
SCHEMBL2857582 0.83 MAPT (0.42) MAPTNPBWR1PKMMCHR1NPSR1
SCHEMBL2858283 0.82 MAPT (0.43) MAPTNPSR1KMT2ANR3C1ALDH1A1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed