SCHEMBL7405290

SCHEMBL7405290

N=C(N)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CCOc3ccc(C(=O)O)cc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.52
F2 P00734 4/20 0.52
F7 P08709 3/20 0.52
PLG P00747 5/20 0.44
PLAU P00749 5/20 0.44
TPSAB1 Q15661 3/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
PIN1 Q13526 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7406095 0.90 F10 (0.48) F10F2F7PLGPLAU
SCHEMBL7447582 0.84 F10 (0.52) F10F2F7PLGPLAU
SCHEMBL7407441 0.84 F10 (0.57) F10F2F7PLGPLAU
SCHEMBL7407177 0.83 F10 (0.64) F10F2F7PLGPLAU
SCHEMBL7408187 0.81 F10 (0.58) F10F2F7PLGPLAU
SCHEMBL7404762 0.78 F2 (0.52) F10F2F7PLGPLAU
SCHEMBL7404725 0.76 F10 (0.52) F10F2F7PLGPLAU
SCHEMBL7401691 0.74 F2 (0.46) F10F2F7PLGPLAU
SCHEMBL7477008 0.74 F2 (0.53) F10F2F7PLGPLAU
SCHEMBL7405159 0.74 F10 (0.55) F10F2F7PLGPLAU

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