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SCHEMBL4739384

SCHEMBL4739384

CCOC(=O)C(Cc1c(C(=O)N(C)C)cc2c(nc(C3CC3)n2C)c1O)C(=O)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.35
▸ PDE9A O76083 2/20 0.34
▸ MAPT P10636 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ CCR6 P51684 1/20 0.30

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
SCHEMBL4738352 0.92 PARP1 (0.35) PARP1PDE9AALDH1A1PKMHSD17B10
SCHEMBL4738308 0.80 CYP1A2 (0.31) ALDH1A1
SCHEMBL4664629 0.74 ALDH1A1 (0.41) PARP1ALDH1A1PKMHSD17B10BRD4
SCHEMBL4664836 0.74 PARP1 (0.35) PARP1ALDH1A1PKMHSD17B10
SCHEMBL4963781 0.69 CTNNB1 (0.35) ALDH1A1HSD17B10BRD4
SCHEMBL5666743 0.66 ALDH1A1 (0.34) PARP1ALDH1A1PKMHSD17B10
SCHEMBL4965054 0.65 HCRTR1 (0.32) BRD4
SCHEMBL4965043 0.64 CTSA (0.33) ALDH1A1HSD17B10
SCHEMBL4962044 0.64 CTSA (0.33) ALDH1A1HSD17B10
SCHEMBL4962050 0.64 CTSA (0.33) ALDH1A1HSD17B10

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
WO-2008074858-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-06-26 — — WO disclosed