SCHEMBL27597153

SCHEMBL27597153

Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(OC(F)(F)F)ccc3NC(=O)O)c2)cc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.42
IGF2BP2 Q9Y6M1 1/20 0.41
DHODH Q02127 3/20 0.40
PTGFR P43088 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
WNT3A P56704 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 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
SCHEMBL27597154 0.91 WNT3A (0.46) ABL1IGF2BP2DHODHWNT3A
SCHEMBL5557201 0.90 ABL1 (0.39) ABL1IGF2BP2DHODHPTGFRWNT3A
SCHEMBL27615837 0.85 ALDH1A1 (0.53) POLB
SCHEMBL27597149 0.82 SERPINE1 (0.43) ERCC5FEN1POLB
SCHEMBL27597180 0.82 ABL1 (0.42) ABL1IGF2BP2DHODHWNT3A
SCHEMBL5557484 0.81 WNT3A (0.43) ABL1WNT3A
SCHEMBL27597176 0.80 POLB (0.46) ERCC5FEN1POLB
SCHEMBL27615941 0.80 POLB (0.46) ERCC5FEN1POLB
SCHEMBL27615918 0.80 ALDH1A1 (0.46) ABL1ERCC5FEN1POLB
SCHEMBL27597160 0.80 ALDH1A1 (0.46) ABL1ERCC5FEN1POLB

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