SCHEMBL2856449

SCHEMBL2856449

COC(=O)c1nc(Cl)c(Cl)nc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TRPC3 Q13507 2/20 0.46
TRPC1 P48995 1/20 0.46
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
STIM2 Q9P246 1/20 0.46
MALT1 Q9UDY8 6/20 0.46
ACHE P22303 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR6 P46095 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2852931 0.77 KDM4E (0.57) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2855462 0.76 MAPT (0.54) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2857034 0.76 KDM4E (0.62) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL4891786 0.75 ALDH1A1 (0.42) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL28696410 0.75 ALDH1A1 (0.76) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2855512 0.75 MALT1 (0.55) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2856010 0.74 MAPT (0.58) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL10365015 0.74 TRPC3 (0.70) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2856134 0.74 RAB9A (0.60) MAPTTRPC3MALT1KDM4EALDH1A1
SCHEMBL4897158 0.74 MAPT (0.41) MAPTTRPC3TRPC1STIM1ORAI1

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 disclosed