SCHEMBL7476975

SCHEMBL7476975

Cn1c(CCc2nc3cc(C(=N)N)ccc3[nH]2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.50
APEX1 P27695 1/20 0.42
F10 P00742 3/20 0.42
TPSAB1 Q15661 3/20 0.42
PRSS1 P07477 2/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
F7 P08709 1/20 0.41

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
SCHEMBL7477294 0.93 APEX1 (0.44) F2APEX1F10TPSAB1PRSS1
SCHEMBL7476301 0.87 KLK1 (0.53) F2F10TPSAB1PRSS1PLG
SCHEMBL7478562 0.86 F10 (0.55) F2APEX1F10TPSAB1PRSS1
SCHEMBL7480462 0.83 F10 (0.44) F2F10TPSAB1PRSS1PLG
SCHEMBL23901812 0.81 F2 (0.57) F2PLGPLAU
SCHEMBL34433937 0.81 F2 (0.57) F2PLGPLAU
SCHEMBL7409221 0.79 F10 (0.66) F2F10TPSAB1PRSS1PLG
SCHEMBL7406196 0.79 F10 (0.56) F2F10TPSAB1PRSS1PLG
SCHEMBL548419 0.79 F10 (0.63) F2F10TPSAB1PRSS1PLG
SCHEMBL7405869 0.78 F2 (0.49) F2F10TPSAB1PRSS1PLG

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