SCHEMBL2852244

SCHEMBL2852244

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ORAI1 Q96D31 2/20 0.46
TRPC1 P48995 1/20 0.46
TRPC3 Q13507 1/20 0.46
STIM1 Q13586 1/20 0.46
STIM2 Q9P246 1/20 0.46
ATM Q13315 1/20 0.45
NR3C1 P04150 5/20 0.43
GPR6 P46095 1/20 0.42
ACHE P22303 1/20 0.41
POLB P06746 2/20 0.40
MET P08581 1/20 0.40
AXL P30530 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL2853065 0.96 NR3C1 (0.46) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2860975 0.94 MAPT (0.49) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2848317 0.94 MAPT (0.46) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2850524 0.93 MAPT (0.43) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2859102 0.93 MAPT (0.45) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2858533 0.93 ATM (0.47) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2848538 0.93 MAPT (0.45) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2861576 0.93 MAPT (0.45) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2859506 0.92 MAPT (0.45) MAPTSMN1; SMN2NPSR1ORAI1TRPC1
SCHEMBL2857981 0.92 MAPT (0.51) 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