SCHEMBL28995153

SCHEMBL28995153

C=C(C)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RNF4 P78317 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ACHE P22303 1/20 0.42
BCL2A1 Q16548 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSPO P30536 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL28995158 0.86 TSPO (0.42) NPC1RAB9ATRPM8ALDH1A1SMN1; SMN2
SCHEMBL28995155 0.85 TSPO (0.47) NPC1RAB9ATRPM8ALDH1A1SMN1; SMN2
SCHEMBL28995170 0.84 TSPO (0.40) RAB9ATRPM8ALDH1A1SMN1; SMN2TSPO
SCHEMBL28995152 0.84 TSPO (0.40) NPC1RAB9ATRPM8ALDH1A1SMN1; SMN2
SCHEMBL28850407 0.83 HPGD (0.46) NPC1RAB9ATRPM8ALDH1A1SMN1; SMN2
SCHEMBL28995157 0.78 TSPO (0.47) NPC1RAB9ATRPM8ALDH1A1TSPO
SCHEMBL28995164 0.73 TRPM8 (0.50) TSHRNPC1RAB9ATRPM8MAPK1
SCHEMBL28133313 0.73 ALDH1A1 (0.66) TSHRRNF4TRPM8ACHEBCL2A1
SCHEMBL28078011 0.72 NPC1 (0.56) TSHRNPC1RAB9ATRPM8ALDH1A1
SCHEMBL28948520 0.72 TRPM8 (0.44) NPC1RAB9ATRPM8ALDH1A1SMN1; SMN2

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