SCHEMBL8559809

SCHEMBL8559809

N=C(N)c1ccc(-c2c[nH]c(=O)n2CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.44
WDR5 P61964 1/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
ITGB3 P05106 9/20 0.37
ITGA2B P08514 9/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
C1S P09871 1/20 0.37
PRSS3 P35030 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APEX1 P27695 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL11248969 0.81 L3MBTL1 (0.54) L3MBTL1APEX1
SCHEMBL7284267 0.69 APEX1 (0.55) NQO2WDR5ITGB3ITGA2BF2
SCHEMBL11246384 0.64 ALDH1A1 (0.47) APEX1
Hydrochloric Acid SCHEMBL14632476 0.64 IDO1 (0.51)
SCHEMBL7284365 0.63 ITGB3 (0.47) ITGB3ITGA2BF2PRSS1ALOX15
Acetic Acid SCHEMBL398148 0.63 NQO2 (0.72) NQO2WDR5F2
SCHEMBL3442777 0.63 WDR5 (0.68) NQO2WDR5F2PLGPRSS1
SCHEMBL9189037 0.63 ITGB3 (0.54) ITGB3ITGA2BALOX15
SCHEMBL7358257 0.63 ITGB3 (0.71) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL11125777 0.63 FABP4 (0.52)

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-0825994-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
US-5674894-A Amidine derivatives useful as platelet aggregation inhibitors and vasodilators G.D. SEARLE & CO. (US) 1997-10-07 US disclosed
WO-1996036639-A1 AMIDINE DERIVATIVES USEFUL AS ANTI-PLATELET AGGREGATION INHIBITORS AND VASODILATORS G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed