SCHEMBL31065667

SCHEMBL31065667

Cc1ccccc1Cc1cc2ccccc2[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.60
IL4I1 Q96RQ9 5/20 0.58
KDM4E B2RXH2 9/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
RXFP1 Q9HBX9 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 3/20 0.49
PDE10A Q9Y233 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL1263927 0.80 KDM4E (0.66) BRD4IL4I1KDM4EALDH1A1HPGD
SCHEMBL31154599 0.80 KDM4E (0.66) BRD4IL4I1KDM4EALDH1A1HPGD
SCHEMBL7499115 0.79 PCSK9 (0.63) BRD4
SCHEMBL24851784 0.77 IL4I1 (0.60) BRD4IL4I1KDM4EALDH1A1HPGD
SCHEMBL32681268 0.77 KDM4E (0.67) IL4I1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL24851822 0.77 IL4I1 (0.56) BRD4IL4I1KDM4EALDH1A1HPGD
SCHEMBL24852526 0.76 IL4I1 (0.49) BRD4IL4I1KDM4EALDH1A1HPGD
SCHEMBL248620 0.76 BRD4 (1.00) BRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29979393 0.76 BRD4 (1.00) BRD4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL24853036 0.76 IL4I1 (0.55) BRD4IL4I1KDM4EALDH1A1HPGD

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
CN-118561750-A Synthesis method and application of 2-methylbenzoyl quinolinone 西北农林科技大学 2024-08-30 CN disclosed