SCHEMBL24263129

SCHEMBL24263129

O=C(NC1CCc2n[nH]c(=O)cc2C1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM5A P29375 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRNA7 P36544 1/20 0.40
HSD11B1 P28845 3/20 0.40
SMYD3 Q9H7B4 1/20 0.39
PRMT5 O14744 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL24263128 0.89 RAB9A (0.47) NPC1RAB9ASMYD3
SCHEMBL24263090 0.89 NPC1 (0.47) HDAC8KMT2AKDM5ANPC1RAB9A
SCHEMBL24263134 0.89 SMYD3 (0.39) HDAC8MEN1KMT2ANPC1RAB9A
SCHEMBL24263131 0.89 HDAC8 (0.45) HDAC8CCNA2CDK2CCNA1KMT2A
SCHEMBL24263127 0.88 MTNR1A (0.46) HDAC8CCNA2CDK2CCNA1MEN1
SCHEMBL24263089 0.88 KDM5A (0.40) HDAC8MEN1KMT2AKDM5ANPC1
SCHEMBL24263084 0.87 KMT2A (0.42) MEN1KMT2ANPC1RAB9ASMYD3
SCHEMBL24263197 0.86 TAOK1 (0.48) MEN1KMT2ASMYD3MCHR1
SCHEMBL24263227 0.85 HDAC8 (0.42) HDAC8CCNA2CDK2CCNA1NPC1
SCHEMBL24263079 0.84 TAOK1 (0.40) HDAC8SMYD3MCHR1

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
WO-2022040508-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-02-24 WO disclosed