SCHEMBL2852121

SCHEMBL2852121

Cc1ccc(F)cc1NC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
MAPK14 Q16539 3/20 0.42
MAPT P10636 5/20 0.41
TDP1 Q9NUW8 1/20 0.39
IDH1 O75874 1/20 0.39
TRPC1 P48995 1/20 0.38
TRPC3 Q13507 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
STIM2 Q9P246 1/20 0.38
CCR1 P32246 2/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 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
SCHEMBL2850809 0.93 MAPT (0.43) MAPK14MAPTTRPC1TRPC3STIM1
SCHEMBL2852353 0.92 RAB9A (0.44) MAPK14MAPTTRPC1TRPC3STIM1
SCHEMBL2850337 0.89 MAPT (0.40) MAPTTDP1NPBWR1MCHR1SMN1; SMN2
SCHEMBL2858182 0.88 P2RX7 (0.44) P2RX7MAPTRAB9ANPSR1
SCHEMBL2859508 0.87 CYP1A2 (0.46) MAPTTDP1TRPC1TRPC3STIM1
SCHEMBL2853465 0.86 RAB9A (0.44) MAPTTDP1TRPC1TRPC3STIM1
SCHEMBL2857582 0.84 MAPT (0.42) P2RX7MAPTTRPC1TRPC3STIM1
SCHEMBL2852361 0.84 KDM4E (0.47) P2RX7MAPK14MAPTTDP1TRPC1
SCHEMBL2858283 0.83 MAPT (0.43) P2RX7MAPTTRPC1TRPC3STIM1
SCHEMBL2854533 0.83 MEN1 (0.46) P2RX7MAPTTRPC1TRPC3STIM1

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