SCHEMBL11560739

SCHEMBL11560739

CC(=O)Nc1ccc2c(c1)NC(CN1C(=O)CCC1=O)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ THRB P10828 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSPA1A P0DMV8 1/20 0.34

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
SCHEMBL11558080 0.82 MAPT (0.36) CYP1A2CYP2C19ALDH1A1MAPTBRD4
SCHEMBL11558220 0.80 KCNE1 (0.34) TRPV1
SCHEMBL11560192 0.80 LMNA (0.38) NPSR1SMN1; SMN2TRPV1
SCHEMBL11565708 0.78 PTGS2 (0.34) BRD4CREBBP
SCHEMBL11559426 0.78 TRPV1 (0.35) CYP2C19MEN1KMT2ATRPV1
SCHEMBL11555223 0.68 CYP1A2 (0.40) CYP1A2CYP2C19NPSR1ALDH1A1HSD17B10
SCHEMBL11560680 0.63 LMNA (0.38) CYP1A2CYP2C19NPSR1ALDH1A1HSD17B10
SCHEMBL6892008 0.62 CYP1A2 (0.44) CYP1A2CYP2C19NPSR1ALDH1A1HSD17B10
SCHEMBL11608411 0.62 CYP1A2 (0.44) CYP1A2CYP2C19NPSR1MAPTTHRB
SCHEMBL11608423 0.62 CYP1A2 (0.44) CYP1A2CYP2C19NPSR1MAPTTHRB

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
US-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 — — US disclosed
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