SCHEMBL29101809

SCHEMBL29101809

Cc1cc(C)cc(-c2nc3ccccc3[nH]c2=O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.75
RAB9A P51151 6/20 0.75
NPC1 O15118 5/20 0.69
HSD17B10 Q99714 3/20 0.55
CASP1 P29466 2/20 0.55
CASP7 P55210 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADORA1 P30542 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
PLAUR Q03405 1/20 0.50
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
PYGM P11217 1/20 0.48

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
SCHEMBL30637069 1.00 KDM4E (0.75) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL27985418 0.88 RAB9A (0.71) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL31448344 0.86 KDM4E (1.00) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL28362353 0.86 KDM4E (1.00) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL1901480 0.82 RAB9A (1.00) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL29820118 0.82 RAB9A (1.00) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL30637063 0.78 KDM4E (0.69) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL29101791 0.78 KDM4E (0.69) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL30637057 0.78 KDM4E (0.78) KDM4ERAB9ANPC1HSD17B10CASP1
SCHEMBL29101820 0.78 KDM4E (0.78) KDM4ERAB9ANPC1HSD17B10CASP1

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-116987039-A Synthesis method of 3-substituted quinoxaline-2 (1H) -ketone derivative 福建医科大学 2023-11-03 CN disclosed