SCHEMBL2850864

SCHEMBL2850864

O=C(Nc1nc[nH]n1)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ACHE P22303 1/20 0.39
GPR6 P46095 1/20 0.38
TRPC3 Q13507 2/20 0.38
ORAI1 Q96D31 2/20 0.38
TRPC1 P48995 1/20 0.38
STIM1 Q13586 1/20 0.38
STIM2 Q9P246 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PDK2 Q15119 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
P2RX7 Q99572 1/20 0.35
NR3C1 P04150 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR1 P32246 2/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL2850712 0.84 MAPT (0.41) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2852244 0.84 MAPT (0.48) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2857913 0.83 MAPT (0.38) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2854626 0.82 MAPT (0.40) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2854992 0.82 L3MBTL1 (0.43) MAPTACHEGPR6ALDH1A1SMN1; SMN2
SCHEMBL2848317 0.81 MAPT (0.46) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2853182 0.80 MAPT (0.42) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2853065 0.80 NR3C1 (0.46) MAPTTRPC3ORAI1TRPC1STIM1
SCHEMBL2850524 0.80 MAPT (0.43) MAPTACHEGPR6TRPC3ORAI1
SCHEMBL2850694 0.80 MAPT (0.41) MAPTACHEGPR6TRPC3ORAI1

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