SCHEMBL7405267

SCHEMBL7405267

N=C(N)c1ccc2[nH]c(Cc3nc4c(OCCN5CCCC5=O)cc(F)cc4[nH]3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.53
TPSAB1 Q15661 3/20 0.40
F2 P00734 3/20 0.40
PRSS1 P07477 2/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
F7 P08709 2/20 0.39
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7402644 0.88 F10 (0.54) F10TPSAB1F2PRSS1PLG
SCHEMBL7407783 0.88 F10 (0.53) F10TPSAB1F2PRSS1PLG
SCHEMBL7516744 0.87 F10 (0.58) F10TPSAB1F2PRSS1PLG
SCHEMBL7400563 0.84 F10 (0.53) F10TPSAB1F2PRSS1PLG
SCHEMBL7408199 0.83 F10 (0.55) F10TPSAB1F2PRSS1PLG
SCHEMBL7407515 0.81 F10 (0.56) F10TPSAB1F2PRSS1PLG
SCHEMBL7409477 0.81 F10 (0.68) F10TPSAB1F2PRSS1PLG
SCHEMBL7403742 0.79 F10 (0.64) F10TPSAB1F2PRSS1PLG
SCHEMBL7404586 0.79 F10 (0.65) F10TPSAB1F2PRSS1PLG
SCHEMBL7407599 0.78 F10 (0.56) F10TPSAB1F2PRSS1PLG

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