SCHEMBL7489169

SCHEMBL7489169

N=C(N)c1ccc2[nH]c(CCc3nc4ccccc4s3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.53
F2 P00734 4/20 0.53
F7 P08709 3/20 0.53
TPSAB1 Q15661 3/20 0.46
PRSS1 P07477 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
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 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
SCHEMBL7409101 0.90 F10 (0.60) F10F2F7TPSAB1PRSS1
SCHEMBL7479169 0.84 F10 (0.71) F10F2F7TPSAB1PRSS1
SCHEMBL548419 0.83 F10 (0.63) F10F2F7TPSAB1PRSS1
SCHEMBL548407 0.78 F10 (0.60) F10F2F7TPSAB1PRSS1
SCHEMBL6163820 0.77 F10 (0.85) F10F2F7TPSAB1PRSS1
SCHEMBL7409412 0.77 MAPT (0.48) F10F2F7TPSAB1PRSS1
SCHEMBL7409406 0.77 F2 (0.44) F10F2F7TPSAB1PRSS1
SCHEMBL548319 0.77 F10 (0.58) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL28579078 0.76 F10 (0.82) F10F2F7TPSAB1PRSS1
Hydrochloric Acid SCHEMBL30386514 0.76 F10 (0.82) 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-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed