SCHEMBL7294117

SCHEMBL7294117

COc1cc(NC(=O)c2ccco2)c(C(C)=O)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.81
HSD17B10 Q99714 5/20 0.81
TSHR P16473 4/20 0.81
CYP1A2 P05177 1/20 0.81
CRHBP P24387 1/20 0.81
CRHR2 Q13324 1/20 0.81
KMT2A Q03164 3/20 0.64
MAPT P10636 6/20 0.63
LMNA P02545 2/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 5/20 0.62
POLB P06746 3/20 0.62
HPGD P15428 3/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
AHR P35869 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTT P42858 1/20 0.62
ALOX15 P16050 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
SCHEMBL6638013 0.79 TSHR (0.73) KDM4EHSD17B10TSHRCYP1A2CRHBP
SCHEMBL31087262 0.77 MAPK1 (0.74) KDM4EHSD17B10TSHRKMT2AMAPT
SCHEMBL21880903 0.77 RAB9A (1.00) KDM4EHSD17B10TSHRKMT2AMAPT
SCHEMBL11687989 0.77 KDM4E (0.66) KDM4EHSD17B10TSHRCYP1A2CRHBP
SCHEMBL20188060 0.76 TSHR (0.74) KDM4EHSD17B10TSHRCYP1A2CRHBP
SCHEMBL11316186 0.76 HSD17B10 (0.73) KDM4EHSD17B10TSHRCYP1A2CRHBP
SCHEMBL20647549 0.75 HTT (0.56) KDM4EHSD17B10KMT2AMAPTLMNA
SCHEMBL5691055 0.75 RAB9A (0.63) KDM4EHSD17B10TSHRCYP1A2CRHBP
SCHEMBL12214430 0.74 RAB9A (1.00) KDM4EHSD17B10TSHRCYP1A2CRHBP
SCHEMBL2624525 0.74 MAPT (0.76) KDM4EHSD17B10TSHRCYP1A2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed