SCHEMBL2859102

SCHEMBL2859102

CC(C)c1ccc(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPBWR1 P48145 2/20 0.45
MCHR1 Q99705 2/20 0.45
ORAI1 Q96D31 2/20 0.43
TRPC1 P48995 1/20 0.43
TRPC3 Q13507 1/20 0.43
STIM1 Q13586 1/20 0.43
STIM2 Q9P246 1/20 0.43
ATM Q13315 1/20 0.42
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL2852244 0.93 MAPT (0.48) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2852536 0.91 MAPT (0.46) MAPTSMN1; SMN2NPSR1NPBWR1MCHR1
SCHEMBL2853065 0.89 NR3C1 (0.46) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2848538 0.88 MAPT (0.45) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2858533 0.88 ATM (0.47) MAPTSMN1; SMN2NPSR1NPBWR1MCHR1
SCHEMBL2860975 0.87 MAPT (0.49) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2848317 0.87 MAPT (0.46) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2857616 0.87 MAPT (0.44) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2857981 0.87 MAPT (0.51) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2850524 0.86 MAPT (0.43) MAPTSMN1; SMN2NPSR1ORAI1TRPC1

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