SCHEMBL7476301

SCHEMBL7476301

Cn1c(CCc2nc3cc(C(=N)N)ccc3[nH]2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 2/20 0.53
KLK5 Q9Y337 2/20 0.53
F2 P00734 4/20 0.51
F10 P00742 4/20 0.51
F7 P08709 2/20 0.51
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TPSAB1 Q15661 3/20 0.44
PRSS1 P07477 2/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 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
SCHEMBL7402998 0.90 F10 (0.58) KLK1KLK5F2F10F7
SCHEMBL7476975 0.87 F2 (0.50) F2F10F7TPSAB1PRSS1
SCHEMBL7477294 0.86 APEX1 (0.44) F2F10F7TPSAB1PRSS1
SCHEMBL7478399 0.84 F2 (0.47) F2F10F7NPC1RAB9A
SCHEMBL7480462 0.83 F10 (0.44) KLK1KLK5F2F10F7
SCHEMBL7480797 0.83 F10 (0.47) KLK1KLK5F2F10F7
SCHEMBL7479169 0.83 F10 (0.71) KLK1KLK5F2F10F7
SCHEMBL7404219 0.82 F10 (0.64) KLK1KLK5F2F10F7
SCHEMBL548419 0.81 F10 (0.63) KLK1KLK5F2F10F7
SCHEMBL7405159 0.79 F10 (0.55) KLK1KLK5F2F10F7

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