SCHEMBL28995151

SCHEMBL28995151

C=C(C)C(=O)N(Cc1ccc(C(C)(C)C)cc1)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.43
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
LMNA P02545 4/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESRRG P62508 1/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
HDAC3 O15379 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
HPGD P15428 1/20 0.35
NR1I2 O75469 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL28850407 0.87 HPGD (0.46) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL1242357 0.84 NR1H4 (0.42) NR1H4PTGESALOX5LMNAALDH1A1
SCHEMBL28995175 0.77 ESR1 (0.41) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL28995158 0.74 TSPO (0.42) PTGESLMNAALDH1A1RAB9AKMT2A
SCHEMBL1242344 0.74 ALDH1A1 (0.44) NR1H4PTGESALOX5LMNAALDH1A1
SCHEMBL28995155 0.73 TSPO (0.47) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL28995157 0.73 TSPO (0.47) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL31223924 0.73 HPGD (0.39) LMNAALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL28995170 0.72 TSPO (0.40) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL28995152 0.72 TSPO (0.40) LMNAALDH1A1RAB9AMEN1KMT2A

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