SCHEMBL7409144

SCHEMBL7409144

N=C(N)c1ccc2[nH]c(Cc3nc4c([N+](=O)[O-])cccc4[nH]3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.56
F2 P00734 4/20 0.56
F7 P08709 2/20 0.56
TPSAB1 Q15661 3/20 0.52
PRSS1 P07477 3/20 0.52
PLG P00747 2/20 0.52
PLAU P00749 2/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
PLAT P00750 1/20 0.49

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
SCHEMBL7409417 0.82 F10 (0.62) F10F2F7TPSAB1PRSS1
SCHEMBL7410764 0.82 F10 (0.59) F10F2F7TPSAB1PRSS1
SCHEMBL7000436 0.81 PKN1 (0.44) F10
SCHEMBL7407023 0.81 F10 (0.58) F10F2F7TPSAB1PRSS1
SCHEMBL6998377 0.81 ADORA3 (0.54)
SCHEMBL6995989 0.80 PKN1 (0.57)
SCHEMBL65730 0.80 F10 (0.77) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL7001387 0.80 ADORA3 (0.53)
SCHEMBL6163820 0.79 F10 (0.85) F10F2F7TPSAB1PRSS1
SCHEMBL4322200 0.79 TPSAB1 (0.78) 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