SCHEMBL29699598

SCHEMBL29699598

O=c1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.81
ALDH1A1 P00352 4/20 0.81
HPGD P15428 3/20 0.81
HSD17B10 Q99714 3/20 0.81
CDC7 O00311 5/20 0.73
PIM1 P11309 3/20 0.60
GSK3B P49841 2/20 0.60
CSNK2A1 P68400 2/20 0.60
CSNK2A2 P19784 1/20 0.60
CLK1 P49759 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A3 Q8NEV1 1/20 0.60
MAPK13 O15264 1/20 0.59
DAPK3 O43293 1/20 0.59
ROCK2 O75116 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
CDK1 P06493 1/20 0.59
FGFR1 P11362 1/20 0.59
RPS6KB1 P23443 1/20 0.59

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
SCHEMBL385542 1.00 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL28544732 0.90 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL19782845 0.86 CDC7 (0.76) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL385565 0.84 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL28539861 0.84 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL383396 0.81 CDC7 (0.72) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL22026472 0.81 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL384812 0.81 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL383305 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10CDC7
SCHEMBL385834 0.79 CDC7 (0.72) KDM4EALDH1A1HPGDHSD17B10CDC7

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
US-20220170904-A1 SYSTEMS AND METHODS FOR MONITORING BIOLOGICAL TISSUE DEGRADATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-02 US disclosed