SCHEMBL28754186

SCHEMBL28754186

Cc1cc(NC(=O)O)c(NC(=O)CC(=O)c2cccc(-c3ccc(C4CC4)nc3)c2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CDK8 P49336 5/20 0.37
CCR2 P41597 2/20 0.36
KCNH2 Q12809 2/20 0.36
WNT3A P56704 2/20 0.36
PTGES O14684 1/20 0.36
IDO1 P14902 1/20 0.35
RAB9A P51151 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL27615925 0.92 POLB (0.39) POLBCCR2KCNH2WNT3APTGES
SCHEMBL5556303 0.90 AAK1 (0.36) POLBCDK8CCR2KCNH2WNT3A
SCHEMBL27597135 0.89 IDO1 (0.41) POLBWNT3AIDO1RAB9A
SCHEMBL27615857 0.89 POLB (0.41) POLBWNT3ARAB9A
SCHEMBL27615902 0.89 POLB (0.45) POLBCDK8WNT3ARAB9A
SCHEMBL27597169 0.88 POLB (0.36) POLBCCR2KCNH2WNT3APTGES
SCHEMBL5556936 0.87 DGAT1 (0.40) POLBCCR2KCNH2WNT3AIDO1
SCHEMBL27597142 0.87 POLB (0.41) POLBCDK8WNT3ARAB9A
SCHEMBL27615982 0.87 MEN1 (0.46) POLBCCR2KCNH2IDO1
SCHEMBL27615862 0.87 RAB9A (0.39) POLBWNT3APTGESIDO1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100497333-C Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
CN-1633430-A Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed