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Sugi Predict / Compounds / SCHEMBL16619324

SCHEMBL16619324

SCHEMBL16619324

CCNC(=O)COc1cc2c(N[C@H](C)c3ccccc3)c(N)cnc2cc1-c1c(C)noc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.48
▸ CYP2C9 P11712 11/20 0.48
▸ BRD4 O60885 13/20 0.47
▸ BRD2 P25440 7/20 0.45
▸ BRD3 Q15059 7/20 0.45
▸ BRDT Q58F21 1/20 0.43
▸ CYP2C19 P33261 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ LMNA P02545 1/20 0.40

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
SCHEMBL16618930 0.90 BRD4 (0.44) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL11909184 0.85 BRD4 (0.59) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16619839 0.85 BRD4 (0.59) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16618922 0.85 BRD4 (0.49) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL11980666 0.82 LMNA (0.48) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16618802 0.80 CYP3A4 (0.47) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL13731747 0.79 CYP3A4 (0.72) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16618854 0.76 LMNA (0.42) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16619289 0.75 LMNA (0.59) CYP3A4CYP2C9BRD4BRD2BRD3
SCHEMBL16619284 0.75 LMNA (0.59) CYP3A4CYP2C9BRD4BRD2BRD3

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-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 — — WO disclosed