SCHEMBL7403000

SCHEMBL7403000

CC(c1nc2ccccc2[nH]1)c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.58
F2 P00734 4/20 0.58
F7 P08709 3/20 0.58
IDO1 P14902 1/20 0.48
PLAU P00749 3/20 0.47
PRSS1 P07477 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
MLKL Q8NB16 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLG P00747 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
PLAT P00750 1/20 0.44
HPN P05981 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL3830602 0.93 F10 (0.47) F10F2F7PLAUPRSS1
SCHEMBL7406132 0.87 ALDH1A1 (0.46) F10F2F7PLAUPRSS1
SCHEMBL7406197 0.86 F10 (0.49) F10F2F7PLAUPRSS1
SCHEMBL7404851 0.86 MLKL (0.45) F10F2F7PLAUPRSS1
SCHEMBL7408828 0.85 F10 (0.58) F10F2F7PLAUPRSS1
SCHEMBL12545642 0.85 KDM4E (0.50) F10F2F7PLAUPRSS1
SCHEMBL7409134 0.85 F2 (0.55) F10F2F7IDO1PLAU
SCHEMBL7409916 0.85 F10 (0.42) F10F2F7PLAUPRSS1
SCHEMBL7405163 0.83 F2 (0.53) F10F2F7IDO1PLAU
SCHEMBL7406501 0.83 F2 (0.53) F10F2F7IDO1PLAU

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