SCHEMBL9301722

SCHEMBL9301722

O=C(O)c1cc(-c2ccccc2)c2ccc(O)cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.63
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MPI P34949 1/20 0.53
CA12 O43570 1/20 0.48
ALDH2 P05091 1/20 0.48
AKR1B1 P15121 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
HSD17B3 P37058 1/20 0.48
SORD Q00796 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4A O75164 1/20 0.47
KDM4B O94953 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL9302158 0.88 ALDH1A1 (0.50) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL2926113 0.84 EGFR (0.51) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL10988314 0.83 MEN1 (0.59) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL9300402 0.81 P2RY14 (0.44) P2RY14ALOX5
SCHEMBL9301884 0.81 P2RY14 (0.47) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL9303054 0.80 P2RY14 (0.55) P2RY14KDM4AKDM4BKDM4DKDM4C
SCHEMBL9301662 0.80 HSD17B3 (0.49) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL9301210 0.79 P2RY14 (0.68) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL9301912 0.78 KDM4E (0.46) P2RY14MEN1KMT2AKDM4EALDH1A1
SCHEMBL9300510 0.78 P2RY14 (1.00) P2RY14MEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1087907-A Heteroaryl naphthalene as white (cell) triolefin biosynthesis inhibitor MERCK FROSST CANADA INC (CA) 1994-06-15 CN disclosed
US-5308852-A Cardiovascular disorders MERCK FROSST CANADA, INC. (CA) 1994-05-03 US disclosed
EP-0579304-A1 Heteroarylnaphthalenes as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1994-01-19 EP disclosed
WO-1994000444-A1 HETEROARYLNAPHTHALENES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-01-06 WO disclosed