SCHEMBL31223924

SCHEMBL31223924

C=C(C)C(=O)N(Cc1ccccc1)c1cccc(Br)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSPO P30536 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 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
SCHEMBL28850407 0.85 HPGD (0.46) HPGDMEN1KMT2ANPC1TRPM8
SCHEMBL28689612 0.78 CXCR1 (0.30) GAA
SCHEMBL28995164 0.78 TRPM8 (0.50) HPGDMEN1KMT2ANPC1TRPM8
SCHEMBL28995158 0.75 TSPO (0.42) HPGDKMT2ANPC1TRPM8ALDH1A1
SCHEMBL28995154 0.75 TRPM8 (0.47) HPGDMEN1KMT2ANPC1TRPM8
SCHEMBL28995157 0.74 TSPO (0.47) HPGDMEN1KMT2ANPC1TRPM8
SCHEMBL28995155 0.74 TSPO (0.47) HPGDMEN1KMT2ANPC1TRPM8
SCHEMBL28948520 0.74 TRPM8 (0.44) MEN1KMT2ANPC1TRPM8ALDH1A1
SCHEMBL28995170 0.73 TSPO (0.40) HPGDMEN1KMT2ATRPM8ALDH1A1
SCHEMBL28995151 0.73 NR1H4 (0.43) HPGDMEN1KMT2ATRPM8ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908891-A Preparation method of 4-amino-2-quinolinone compound 浙江广厦建设职业技术大学 2024-11-08 CN disclosed