SCHEMBL7373376

SCHEMBL7373376

CCCCc1ccc(-c2nc3ccc(C(=N)N)cc3n2C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.46
F2 P00734 3/20 0.46
PRSS1 P07477 2/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
NFKB1 P19838 5/20 0.46
NFKB2 Q00653 4/20 0.46
RELA Q04206 4/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
S1PR1 P21453 1/20 0.38
MAPT P10636 2/20 0.37
STAT3 P40763 1/20 0.37
ATM Q13315 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
SCHEMBL7405044 0.92 NPC1 (0.46) F10F2PRSS1PLGPLAU
SCHEMBL7370946 0.76 F2 (0.57) F10F2PRSS1PLGPLAU
SCHEMBL7405923 0.74 F2 (0.47) F10F2PRSS1PLGPLAU
SCHEMBL23901856 0.71 KLK1 (0.50) F10F2PRSS1PLGPLAU
SCHEMBL7404719 0.68 F10 (0.52) F10F2PRSS1PLGPLAU
SCHEMBL8995527 0.66 PRSS1 (0.55) F10PRSS1ALDH1A1HPGD
SCHEMBL2361989 0.65 TLR8 (0.49) POLBTLR7
Hydrochloric Acid SCHEMBL5884387 0.65 PRSS1 (0.53) F10F2PRSS1S1PR1ALDH1A1
SCHEMBL9649899 0.62 ESR1 (0.55) F10PRSS1TP53S1PR1KDM4E
Hydrochloric Acid SCHEMBL10639012 0.62 PLAU (0.60) F2PRSS1PLGPLAUS1PR1

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
US-6150379-A BLOOD COAGULATION FACTOR XA INHIBITORS; TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE ACTIVITY; THROMBOLYTIC AND ISCHEMIC AGENTS; E.G., 2-(6-(5-AMIDINO-1H-BENZIMIDAZOL-2-YL)-PYRID-3-YLCARBONYLAMINO)-3 -HYDROXYBUTYRIC ACID AXYS PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
WO-1999026941-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed