SCHEMBL28995158

SCHEMBL28995158

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.42
PTGES O14684 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
HTR6 P50406 1/20 0.37
STAT3 P40763 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIGMAR1 Q99720 3/20 0.36
TMEM97 Q5BJF2 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL28995155 0.88 TSPO (0.47) TSPOLMNAALDH1A1HPGDKMT2A
SCHEMBL28995152 0.87 TSPO (0.40) TSPOLMNAALDH1A1HPGDKMT2A
SCHEMBL28995170 0.87 TSPO (0.40) TSPOLMNAALDH1A1HPGDKMT2A
SCHEMBL28850407 0.86 HPGD (0.46) TSPOLMNAALDH1A1HPGDKMT2A
SCHEMBL28995153 0.86 TSHR (0.45) TSPOALDH1A1KMT2ATRPM8RAB9A
SCHEMBL28995157 0.81 TSPO (0.47) TSPOLMNAALDH1A1HPGDKMT2A
SCHEMBL28995164 0.76 TRPM8 (0.50) TSPOLMNAALDH1A1HPGDKMT2A
SCHEMBL28078011 0.75 NPC1 (0.56) TSPOALDH1A1KMT2AL3MBTL1TRPM8
SCHEMBL28948520 0.75 TRPM8 (0.44) TSPOLMNAALDH1A1KMT2AL3MBTL1
SCHEMBL31223924 0.75 HPGD (0.39) TSPOLMNAALDH1A1HPGDKMT2A

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