SCHEMBL2852548

SCHEMBL2852548

N#Cc1cn[nH]c1NC(=O)Oc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GPR6 P46095 1/20 0.35
MALT1 Q9UDY8 3/20 0.35
ACHE P22303 1/20 0.35
P2RX7 Q99572 1/20 0.34
AR P10275 2/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
TRPV1 Q8NER1 1/20 0.33
TRPC1 P48995 1/20 0.33
TRPC3 Q13507 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
STIM2 Q9P246 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XDH P47989 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL2858110 0.83 KDM4E (0.44) MAPTGPR6MALT1POLBSMN1; SMN2
SCHEMBL2859506 0.81 MAPT (0.45) MAPTGPR6ACHEARTRPC1
SCHEMBL2852244 0.80 MAPT (0.48) MAPTGPR6ACHETRPC1TRPC3
SCHEMBL2850631 0.78 P2RX1 (0.41) MAPTMALT1SMN1; SMN2KDM4EALDH1A1
SCHEMBL2848317 0.77 MAPT (0.46) MAPTGPR6ACHETRPC1TRPC3
SCHEMBL2850421 0.77 CLK2 (0.51) MAPTTRPV1POLBSMN1; SMN2KDM4E
SCHEMBL2854626 0.77 MAPT (0.40) MAPTGPR6ACHEP2RX7TRPC1
SCHEMBL2854992 0.76 L3MBTL1 (0.43) MAPTGPR6ACHESMN1; SMN2ALDH1A1
SCHEMBL2850712 0.76 MAPT (0.41) MAPTGPR6MALT1ACHEP2RX7
SCHEMBL2853065 0.76 NR3C1 (0.46) MAPTTRPC1TRPC3STIM1ORAI1

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