SCHEMBL28995156

SCHEMBL28995156

C=C(C)C(=O)N(C)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
TSPO P30536 1/20 0.36
HPGD P15428 1/20 0.35
ESR1 P03372 2/20 0.35
KDM4E B2RXH2 1/20 0.33
NCEH1 Q6PIU2 1/20 0.32
PKM P14618 1/20 0.32
EGFR P00533 2/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL28995162 0.81 EGFR (0.39) SMN1; SMN2MAPTTSPOHPGDEGFR
SCHEMBL22507695 0.81 ESR1 (0.38) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL22507696 0.81 KMT2A (0.33) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL9062523 0.81 TSPO (0.51) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL28250163 0.80 SIGMAR1 (0.44) ALDH1A1KDM4ESIGMAR1
SCHEMBL28689612 0.80 CXCR1 (0.30) GAA
SCHEMBL12550519 0.79 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL28499158 0.79 GAA (0.36) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL28356966 0.79 GPBAR1 (0.43) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL28995175 0.78 ESR1 (0.41) ALDH1A1SMN1; SMN2TP53TSHRHPGD

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-116043243-B Method for electrochemically synthesizing 3, 4-dihydro-quinolinone compounds 桂林电子科技大学 2025-02-18 CN disclosed
CN-116043243-A Method for electrochemically synthesizing 3, 4-dihydro-quinolinone compounds 桂林电子科技大学 2023-05-02 CN disclosed