SCHEMBL27615896

SCHEMBL27615896

CCc1ccc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(C)cc3NC(=O)O)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CDK8 P49336 8/20 0.39
WNT3A P56704 2/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL27615902 0.92 POLB (0.45) POLBCDK8WNT3ARAB9AMEN1
SCHEMBL5562754 0.91 AAK1 (0.38) POLBCDK8WNT3A
SCHEMBL27615895 0.89 POLB (0.41) POLBCDK8WNT3ARAB9AMEN1
SCHEMBL27615864 0.88 POLB (0.42) POLBCDK8WNT3ARAB9AMEN1
SCHEMBL27597124 0.88 POLB (0.41) POLBCDK8WNT3ARAB9AMEN1
SCHEMBL27615852 0.87 MEN1 (0.48) POLBMEN1ALDH1A1KMT2ASLC1A3
SCHEMBL27597120 0.86 POLB (0.43) POLBCDK8RAB9AMEN1ALDH1A1
SCHEMBL28754186 0.86 POLB (0.40) POLBCDK8WNT3ARAB9A
SCHEMBL27615901 0.86 RAB9A (0.41) POLBRAB9AMEN1ALDH1A1KMT2A
SCHEMBL27597155 0.85 POLB (0.46) POLBWNT3ARAB9A

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