SCHEMBL7422210

SCHEMBL7422210

CCOC(=O)CCN(C)CC(C)(C(=O)N1CCCC1)c1ccc2[nH]c(CCNc3ccc(C(=N)N)cc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.40
F10 P00742 6/20 0.40
NQO2 P16083 1/20 0.37
PLG P00747 4/20 0.35
KLK1 P06870 3/20 0.35
KLK5 Q9Y337 3/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
F9 P00740 1/20 0.35
CACNA1G O43497 2/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL7442317 0.84 F2 (0.54) F2F10PLGKLK1KLK5
SCHEMBL7096948 0.82 F2 (0.62) F2F10NQO2PLGKLK1
SCHEMBL7422207 0.81 NQO2 (0.38) F2F10NQO2KLK1KLK5
SCHEMBL7445649 0.80 MLLT1 (0.37) F2F10MAPTNPC1ALDH1A1
SCHEMBL7450241 0.78 F2 (0.57) F2F10PLGKLK1KLK5
SCHEMBL7453719 0.77 F2 (0.42) F2F10PLGKLK1KLK5
SCHEMBL7424427 0.76 F2 (0.42) F2F10PLGKLK1KLK5
SCHEMBL6462435 0.75 ITGB3 (0.43) F2F10PLGKLK1KLK5
SCHEMBL7421110 0.75 MLLT1 (0.38) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL7450500 0.75 MLLT1 (0.39) F2F10MAPTNPC1ALDH1A1

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-1244636-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC Boehringer Ingelheim Pharma KG (DE) 2002-10-02 EP disclosed
WO-2001047896-A1 BENZIMIDAZOLES, PRODUCTION THEREOF AND THE USE THEREOF AS ANTITHROMBOTIC BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed