SCHEMBL7450760

SCHEMBL7450760

N=C(N)c1ccc(Oc2ncccc2OCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
F2 P00734 6/20 0.46
F10 P00742 4/20 0.46
ST14 Q9Y5Y6 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
PLAU P00749 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
TMPRSS15 P98073 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FURIN P09958 1/20 0.41

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
SCHEMBL7456270 0.81 F2 (0.49) F2F10ST14PRSS1PRSS2
SCHEMBL7122825 0.76 ITGB3 (0.75) ITGB3ITGA2BF2F10ST14
Hydrochloric Acid SCHEMBL8040370 0.75 ITGB3 (0.73) ITGB3ITGA2BF2F10ST14
SCHEMBL8410645 0.72 ITGB3 (0.69) ITGB3ITGA2BF2F10ST14
SCHEMBL8407198 0.72 ITGB3 (0.69) ITGB3ITGA2BF2F10ST14
SCHEMBL7291480 0.70 ITGB3 (0.66) ITGB3ITGA2BF2F10ST14
SCHEMBL14273084 0.69 POLB (0.53) ALDH1A1POLBSMN1; SMN2
SCHEMBL7449717 0.69 TMPRSS15 (0.55) PRSS1PRSS2PRSS3TMPRSS15
Iodide SCHEMBL7829929 0.69 ITGB3 (0.64) ITGB3ITGA2BF2F10ST14
SCHEMBL7282886 0.69 ITGB3 (0.65) ITGB3ITGA2BF2ST14PRSS1

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-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 WO disclosed