SCHEMBL2853065

SCHEMBL2853065

O=C(Nc1ccc(C(F)(F)F)cc1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.46
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 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
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 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 0.96 MAPT (0.48) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2848538 0.93 MAPT (0.45) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2850524 0.91 MAPT (0.43) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2860975 0.90 MAPT (0.49) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2848317 0.90 MAPT (0.46) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2856976 0.89 MAPT (0.52) NR3C1MAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL2859102 0.89 MAPT (0.45) MAPTNPSR1SMN1; SMN2ORAI1TRPC1
SCHEMBL2861576 0.89 MAPT (0.45) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2858533 0.89 ATM (0.47) NR3C1MAPTNPSR1SMN1; SMN2ORAI1
SCHEMBL2857981 0.88 MAPT (0.51) NR3C1MAPTNPSR1SMN1; SMN2ORAI1

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