SCHEMBL2857582

SCHEMBL2857582

Cc1ccc(Cl)c(NC(=O)Oc2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
GPR6 P46095 1/20 0.39
TRPC1 P48995 1/20 0.39
TRPC3 Q13507 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
STIM2 Q9P246 1/20 0.39
ACHE P22303 1/20 0.39
CCR1 P32246 1/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
P2RX7 Q99572 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2852353 0.92 RAB9A (0.44) MAPTGPR6TRPC1TRPC3STIM1
SCHEMBL2860522 0.90 MAPT (0.48) MAPTCCR1RAB9AALDH1A1MEN1
SCHEMBL2853465 0.90 RAB9A (0.44) MAPTGPR6TRPC1TRPC3STIM1
SCHEMBL2850834 0.89 NTRK1 (0.45) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL2850809 0.87 MAPT (0.43) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2852552 0.87 MEN1 (0.51) MAPTPDK1PDK2PDK3PDK4
SCHEMBL2854533 0.87 MEN1 (0.46) MAPTPDK1PDK2PDK3PDK4
SCHEMBL2859712 0.86 CA1 (0.45) MAPTACHESMN1; SMN2
SCHEMBL2853258 0.85 NPY5R (0.45) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2859508 0.85 CYP1A2 (0.46) MAPTGPR6TRPC1TRPC3STIM1

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