SCHEMBL7401334

SCHEMBL7401334

N=C(NO)c1ccc2[nH]c(Cc3nc4cc(C(=O)O)ccc4[nH]3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
APEX1 P27695 1/20 0.46
F10 P00742 8/20 0.46
TPSAB1 Q15661 3/20 0.46
PRSS1 P07477 2/20 0.46
F2 P00734 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 0.45
TPSG1 Q9NRR2 1/20 0.45
F7 P08709 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TOP2A P11388 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7409221 0.84 F10 (0.66) NPSR1F10TPSAB1PRSS1F2
SCHEMBL6165371 0.81 F2 (0.58) NPSR1APEX1F10F2F7
SCHEMBL11887806 0.79 APEX1 (0.64) NPSR1APEX1CYP1A2TSHRTOP2A
SCHEMBL7409276 0.79 F10 (0.63) F10TPSAB1PRSS1F2PLG
SCHEMBL29613752 0.79 GAA (0.60) NPSR1APEX1CYP1A2TSHRTOP2A
SCHEMBL22775824 0.79 GAA (0.60) NPSR1APEX1CYP1A2TSHRTOP2A
SCHEMBL7070115 0.78 NPSR1 (0.49) NPSR1APEX1F10TPSAB1PRSS1
SCHEMBL4785390 0.78 NPSR1 (0.75) NPSR1APEX1CYP1A2TSHRTOP2A
SCHEMBL16166279 0.77 NPSR1 (0.54) NPSR1APEX1F10TPSAB1PRSS1
SCHEMBL14510145 0.77 NPSR1 (0.45) NPSR1APEX1F10TPSAB1PRSS1

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