SCHEMBL20114737

SCHEMBL20114737

N=N/N=C(\N)c1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
PLG P00747 2/20 0.55
PBRM1 Q86U86 1/20 0.44
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
NOS1 P29475 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL18891443 0.82 PBRM1 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL21589373 0.79 PARP1 (0.53) MEN1RAB9AKMT2ATDP1NPC1
SCHEMBL31650872 0.78 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL8312824 0.78 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL17730485 0.78 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL2481256 0.78 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL20114738 0.78 F2 (0.55) F2PRSS1PRSS2PRSS3PLG
SCHEMBL13770411 0.77 KMT2A (0.52) F2PRSS1PRSS2PRSS3CYP3A4
SCHEMBL17354740 0.76 F2 (0.53) F2PRSS1PRSS2PRSS3PLG
SCHEMBL12987444 0.73 ASH1L (0.36) F2PRSS1PRSS2PRSS3PLG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040992-A1 SYNTHETIC DERIVATIVES OF OLEOYL-LYSOPHOSPHATIDYLINOSITOL (OLEOLYL-LPI) AND USES THEREOF CURTIN UNIVERSITY (AU) 2019-03-07 WO disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 EP disclosed