SCHEMBL9748412

SCHEMBL9748412

O=C(OC(=O)c1ccc(N=C=S)cc1)c1ccc(N=C=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
P2RY6 Q15077 3/20 0.45
MIF P14174 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PRSS1 P07477 5/20 0.41
F2 P00734 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HGFAC Q04756 2/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL9748423 0.93 MIF (0.53) HSD17B10P2RY6MIFCA1CA2
SCHEMBL1421354 0.85 RAB9A (0.56) CA1CA2PRSS1MAPTCASP3
SCHEMBL941258 0.81 P2RY6 (0.50) HSD17B10P2RY6MIFCA1CA2
SCHEMBL13496888 0.80 HSD17B10 (0.44) HSD17B10P2RY6MIFCA1CA2
SCHEMBL13496887 0.80 HSD17B10 (0.44) HSD17B10P2RY6MIFCA1CA2
SCHEMBL2590530 0.80 CA1 (0.45) HSD17B10P2RY6MIFCA1CA2
SCHEMBL1457515 0.80 MAPT (0.56) CA1CA2PRSS1MAPTRAB9A
SCHEMBL8511816 0.80 HSD17B10 (0.38) HSD17B10P2RY6MIFCA1CA2
SCHEMBL23481284 0.79 HSD17B10 (0.49) HSD17B10P2RY6MIFCA1CA2
SCHEMBL455561 0.79 MIF (0.54) HSD17B10P2RY6MIFCA1CA2

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
EP-0220899-B1 BIFUNCTIONAL LINKER Immunomedics, Inc. (US) 1992-03-11 EP disclosed
US-4680338-A Bifunctional linker IMMUNOMEDICS, INC. (US) 1987-07-14 US disclosed