SCHEMBL29077293

SCHEMBL29077293

Cc1ccc(Br)cc1C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CES2 O00748 1/20 0.44
GALR3 O60755 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MYC P01106 1/20 0.42

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
SCHEMBL16846368 1.00 SORT1 (0.47) SORT1HDAC1HDAC6HDAC8NPC1
SCHEMBL827985 0.86 SORT1 (0.46) SORT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL12909242 0.85 ALDH1A1 (0.55) SORT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL16142876 0.82 NPC1 (0.45) SORT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL28903978 0.82 ALDH1A1 (0.46) SORT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL23243625 0.82 ALDH1A1 (0.57) SORT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL23243601 0.82 HPGD (0.47) SORT1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL9353897 0.79 MAOA (0.50) SORT1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL17332 0.79 KDM4E (0.59) SORT1CYP1A2CYP2C9CYP2C19CES2
SCHEMBL30976481 0.79 MAOA (0.50) SORT1NPC1RAB9ACYP1A2CYP2C9

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-116731003-A N-phenylimine-containing derivative, and preparation method and application thereof 贵州大学 2023-09-12 CN disclosed