SCHEMBL27662011

SCHEMBL27662011

CC(C)(C)NC(=O)Oc1cc(C(F)(F)F)c(Cl)cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
KDR P35968 1/20 0.35
CFTR P13569 1/20 0.35
MAPT P10636 3/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CDK8 P49336 3/20 0.34
BRAF P15056 2/20 0.33
HDAC3 O15379 1/20 0.33
RAF1 P04049 1/20 0.33
ARAF P10398 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL27516229 0.95 CFTR (0.38) POLBAPEX1KDRCFTRMAPT
SCHEMBL27662009 0.85 CFTR (0.36) CFTRADRB2LMNA
SCHEMBL27768015 0.83 POLB (0.43) POLBAPEX1LMNAGAAHTT
SCHEMBL27543700 0.82 CFTR (0.39) CFTR
SCHEMBL27641583 0.82 CD44 (0.42) POLBAPEX1MAPTGAAKMT2A
SCHEMBL27767920 0.81 POLB (0.43) POLBAPEX1LMNAGAAHTT
SCHEMBL27516903 0.79 CFTR (0.36) CFTRMAPTLMNAGAA
SCHEMBL27539394 0.78 GAA (0.35) POLBAPEX1MAPTLMNAGAA
SCHEMBL27539107 0.78 LMNA (0.41) POLBMAPTLMNAHTTMEN1
SCHEMBL5674056 0.75 KDR (0.47) KDRMAPTLMNAGAACDK8

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
CN-1856312-A Combination of mGluR2 antagonist and AChE inhibitor for treatment of acute and/or chronic neurological disorders HOFFMANN LA ROCHE (CH) 2006-11-01 CN disclosed