SCHEMBL29528342

SCHEMBL29528342

BrCc1cn(-c2ccc(Br)cc2)nc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.68
MEN1 O00255 2/20 0.68
NPC1 O15118 2/20 0.68
KMT2A Q03164 2/20 0.68
CCNE1 P24864 8/20 0.61
CDK2 P24941 8/20 0.61
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PKM P14618 1/20 0.49
AURKA O14965 1/20 0.49
PTGS2 P35354 1/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL29528408 0.94 RAB9A (0.76) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29528289 0.91 KDM4E (0.66) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29528297 0.87 ALDH1A1 (0.59) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29528345 0.87 KDM4E (0.61) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29527706 0.87 KMT2A (0.66) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11247889 0.87 RAB9A (0.89) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29527714 0.83 KDM4E (0.68) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL29528169 0.83 KDM4E (0.50) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL11543404 0.83 MEN1 (0.61) RAB9AMEN1NPC1KMT2ACCNE1
SCHEMBL3407292 0.81 RAB9A (1.00) RAB9AMEN1NPC1KMT2ACCNE1

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-113248438-B Pyrazole compound and preparation method thereof 浙大城市学院 2022-04-12 CN disclosed