SCHEMBL7408552

SCHEMBL7408552

COCCOCCOc1cccc2[nH]c(Cc3nc4cc(C(N)=NOC)ccc4[nH]3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.38
F2 P00734 2/20 0.37
F7 P08709 1/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
TPSAB1 Q15661 3/20 0.33
PRSS1 P07477 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33

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
SCHEMBL7402461 0.92 F10 (0.41) F10F2F7HSD17B10POLB
SCHEMBL7401624 0.88 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7405253 0.85 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7408545 0.85 F10 (0.41) F10F2F7HSD17B10POLB
SCHEMBL7402453 0.83 F10 (0.39) F10F2F7HSD17B10POLB
SCHEMBL7409109 0.80 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7406211 0.80 F10 (0.51) F10F2F7TPSAB1PRSS1
SCHEMBL7405323 0.80 F10 (0.56) F10F2F7HSD17B10POLB
SCHEMBL7404586 0.76 F10 (0.65) F10F2F7TPSAB1PRSS1
SCHEMBL7406174 0.75 F10 (0.51) 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-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed