SCHEMBL31301792

SCHEMBL31301792

CC(C)c1cnc2c(O)ccc(Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
BRD4 O60885 2/20 0.47
HSP90AA1 P07900 2/20 0.47
METAP2 P50579 2/20 0.47
METAP1 P53582 1/20 0.47
TYR P14679 1/20 0.37
ESRRG P62508 1/20 0.36
HTT P42858 4/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
IDO1 P14902 1/20 0.35
RNASEH1 O60930 1/20 0.34
PIM1 P11309 1/20 0.34
PTPN1 P18031 1/20 0.33
SLC6A2 P23975 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL11688674 0.78 MAPT (0.51) KDM4ELMNAMAPTBRD4HSP90AA1
SCHEMBL31301815 0.77 KDM4E (0.44) KDM4ELMNAMAPTBRD4HSP90AA1
SCHEMBL31301800 0.74 KDM4E (0.47) KDM4ELMNAMAPTBRD4HSP90AA1
SCHEMBL31301943 0.74 MAPT (0.47) KDM4ELMNAMAPTBRD4HSP90AA1
SCHEMBL31301909 0.72 KDM4E (0.45) KDM4ELMNAMAPTBRD4HSP90AA1
SCHEMBL2609313 0.70 MASP2 (0.36) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14566501 0.70 KDM4E (0.62) KDM4EMAPTMETAP2METAP1TYR
SCHEMBL31301969 0.70 NPC1 (0.46) KDM4ELMNAMAPTBRD4HSP90AA1
SCHEMBL14558312 0.70 SMN1; SMN2 (0.37) LMNAMAPTTYRHTTALDH1A1
Cloxyquin SCHEMBL4291941 0.67 KDM4E (0.96) KDM4ELMNAMAPTBRD4HSP90AA1

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-119390735-A Hydroxyquinoline coordinated catalyst, preparation method, composite catalyst and application 上海元革新材料科技有限公司 2025-02-07 CN disclosed