SCHEMBL7447592

SCHEMBL7447592

COC(=O)CCN(C(=O)Oc1ccc2[nH]c(CNc3ccc(C(=N)NC(=O)c4ccccc4)cc3)nc2c1C)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.39
F2 P00734 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 3/20 0.37
SLC22A2 O15244 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PROC P04070 1/20 0.37
HPN P05981 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
SLC47A2 Q86VL8 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7446130 0.94 NQO2 (0.37) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7443805 0.92 NPC1 (0.37) NQO2F2ALDH1A1MAPK1SMN1; SMN2
SCHEMBL7448713 0.91 NQO2 (0.43) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7448365 0.90 NQO2 (0.44) NQO2F2ALDH1A1MAPK1SLC22A2
Hydrochloric Acid SCHEMBL7448189 0.90 NQO2 (0.47) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7453308 0.88 NQO2 (0.40) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7446902 0.88 F2 (0.41) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7445500 0.87 F2 (0.42) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7446037 0.87 F2 (0.42) NQO2F2ALDH1A1MAPK1SLC22A2
SCHEMBL7452514 0.87 F2 (0.42) NQO2F2ALDH1A1MAPK1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed