SCHEMBL7405209

SCHEMBL7405209

N=C(N)c1ccc2[nH]c(Cc3nc4ccccc4n3-c3ccc(O)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.53
F2 P00734 4/20 0.53
F7 P08709 3/20 0.53
TPSAB1 Q15661 3/20 0.46
PRSS1 P07477 2/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7409133 0.93 F10 (0.56) F10F2F7TPSAB1PRSS1
SCHEMBL7402998 0.83 F10 (0.58) F10F2F7TPSAB1PRSS1
SCHEMBL7480797 0.82 F10 (0.47) F10F2F7TPSAB1PRSS1
SCHEMBL7405159 0.80 F10 (0.55) F10F2F7TPSAB1PRSS1
SCHEMBL7397939 0.78 F10 (0.52) F10F2F7TPSAB1PRSS1
SCHEMBL7406105 0.77 F10 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL6163820 0.77 F10 (0.85) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL28579078 0.76 F10 (0.82) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL30386514 0.76 F10 (0.82) F10F2F7TPSAB1PRSS1
SCHEMBL7476301 0.76 KLK1 (0.53) F10F2F7TPSAB1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed