SCHEMBL2859797

SCHEMBL2859797

CCCOC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
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
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CCR1 P32246 3/20 0.39
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2850038 0.86 MAPT (0.46) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2858063 0.81 MAPT (0.57) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2860983 0.80 MAPT (0.49) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2859050 0.80 PTGS1 (0.46) MAPTNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2859651 0.79 MAPT (0.46) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2856049 0.78 ATM (0.53) MAPTNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL2854032 0.76 MAPT (0.43) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2859981 0.75 KDM4E (0.50) MAPTORAI1NPC1RAB9ANPSR1
SCHEMBL2854478 0.75 ITGB3 (0.46) MAPTTRPC3TRPC1STIM1ORAI1
SCHEMBL2856795 0.75 NPC1 (0.46) 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