SCHEMBL2852809

SCHEMBL2852809

CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
CCR1 P32246 2/20 0.36
ACHE P22303 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR6 P46095 1/20 0.35
ORAI1 Q96D31 2/20 0.35
TRPC1 P48995 1/20 0.35
TRPC3 Q13507 1/20 0.35
STIM1 Q13586 1/20 0.35
STIM2 Q9P246 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.35
ACLY P53396 1/20 0.35
MAPK14 Q16539 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL2852820 0.90 TMPRSS4 (0.45) MAPTNPSR1NPC1RAB9ATP53
SCHEMBL2850610 0.88 MAPT (0.40) MAPTTP53CCR1ACHESMN1; SMN2
SCHEMBL2848538 0.85 MAPT (0.45) MAPTNPSR1NPC1RAB9ATP53
SCHEMBL2860522 0.85 MAPT (0.48) MAPTNPSR1NPC1RAB9ACCR1
SCHEMBL2857550 0.85 TMPRSS4 (0.45) MAPTNPSR1NPC1RAB9ACCR1
SCHEMBL2856901 0.83 MAPT (0.40) MAPTNPSR1NPC1RAB9ATP53
SCHEMBL2850809 0.82 MAPT (0.43) MAPTNPSR1RAB9ATP53CCR1
SCHEMBL2854533 0.81 MEN1 (0.46) MAPTNPSR1NPC1RAB9AACHE
SCHEMBL2857582 0.81 MAPT (0.42) MAPTNPSR1NPC1RAB9ATP53
SCHEMBL2853465 0.81 RAB9A (0.44) MAPTNPSR1NPC1RAB9ATP53

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