SCHEMBL28319293

SCHEMBL28319293

CCc1cc(C=O)c(N)c(CC)c1Br

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
PRKDC P78527 1/20 0.31
ALDH1A3 P47895 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL28041046 0.86 LMNA (0.35) LMNAGABRA1GABRB2POLBHTT
SCHEMBL17494470 0.84 LMNA (0.34) LMNAPRKDC
SCHEMBL28320399 0.82 POLB (0.31) POLBHTTALDH1A1
SCHEMBL29153429 0.80 LMNA (0.40) LMNAPOLBPRKDCALDH1A3ALDH1A1
SCHEMBL28441711 0.80 ALDH1A1 (0.33) POLBHTTALDH1A1
SCHEMBL29038305 0.75 KDM5A (0.34) POLBHTTALDH1A1
SCHEMBL29038315 0.75 AR (0.30)
SCHEMBL16556091 0.73 HTT (0.38) GABRA1GABRB2POLBHTTALDH1A1
SCHEMBL8914606 0.73 ALDH1A1 (0.37) POLBHTTALDH1A1
SCHEMBL28320395 0.73 TDP1 (0.34) ALDH1A1

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-110143918-B 3, 4-dihydro-3- (2-hydroxybenzoyl) -2(1H) -quinolinone active skeleton, synthetic method and application 青岛农业大学 2020-08-04 CN disclosed
CN-110143918-A - 2 (1H)-quinolinone activity skeleton of 3,4- dihydro -3- (2- (2-hydroxybenzoyl)) and synthetic method and application 青岛农业大学 2019-08-20 CN disclosed