SCHEMBL7399259

SCHEMBL7399259

N=C(N)c1ccc2[nH]c(Nc3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.60
F10 P00742 4/20 0.60
F7 P08709 2/20 0.60
CYP3A4 P08684 1/20 0.51
KLK1 P06870 1/20 0.51
KLK5 Q9Y337 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
AKR1C3 P42330 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PLAU P00749 3/20 0.49
PRSS1 P07477 3/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
PLG P00747 2/20 0.46

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
SCHEMBL7410845 0.85 F10 (0.51) F2F10F7NPC1RAB9A
SCHEMBL23793907 0.84 F2 (0.83) F2F10F7KLK1KLK5
SCHEMBL7479169 0.81 F10 (0.71) F2F10F7KLK1KLK5
SCHEMBL6163820 0.81 F10 (0.85) F2F10F7KLK1KLK5
Hydrochloric Acid SCHEMBL28579078 0.80 F10 (0.82) F2F10F7KLK1KLK5
Hydrochloric Acid SCHEMBL30386514 0.80 F10 (0.82) F2F10F7KLK1KLK5
SCHEMBL7409416 0.80 F10 (0.59) F2F10F7KLK1KLK5
SCHEMBL7408229 0.80 F2 (0.59) F2F10F7KLK1KLK5
SCHEMBL7403000 0.78 F10 (0.58) F2F10F7KLK1KLK5
SCHEMBL28050241 0.78 RAB9A (0.68) CYP3A4MEN1KMT2AGAAAKR1C3

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