SCHEMBL7445932

SCHEMBL7445932

Cc1c(OC(=O)N(CCC(=O)O)c2ccccn2)ccc2[nH]c(CCc3ccc(C(=N)N)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.41
NQO2 P16083 2/20 0.41
SLC22A2 O15244 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PROC P04070 1/20 0.41
HPN P05981 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
SLC47A2 Q86VL8 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
TMPRSS15 P98073 6/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
Hydrochloric Acid SCHEMBL7445405 0.92 NQO2 (0.45) F2NQO2SLC22A2F10PLG
SCHEMBL7444769 0.91 F2 (0.40) F2PRSS1TMPRSS15ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7442314 0.90 F2 (0.39) F2PRSS1TMPRSS15ITGB3ITGA2B
SCHEMBL7446122 0.89 F2 (0.51) F2NQO2SLC22A2F10PLG
SCHEMBL7445456 0.88 F2 (0.41) F2TMPRSS15ITGB3ITGA2BBRD4
Hydrochloric Acid SCHEMBL7446278 0.87 NQO2 (0.39) F2NQO2F10PRSS1ITGB3
SCHEMBL7443847 0.86 F2 (0.34) F2NQO2SLC22A2F10PLG
SCHEMBL7454396 0.84 NQO2 (0.38) F2NQO2BRD4CREBBP
Hydrochloric Acid SCHEMBL7445287 0.84 F2 (0.45) F2F10PRSS1TMPRSS15ITGB3
Hydrochloric Acid SCHEMBL7448177 0.83 F2 (0.39) F2NQO2F10PRSS1TMPRSS15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3343359-B2 2002-11-11 JP claimed
JP-2001509815-A 2001-07-24 JP claimed
EP-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP claimed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO claimed
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