SCHEMBL9630808

SCHEMBL9630808

O=C(O)c1cc(/C=C/c2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.60
PTPN1 P18031 4/20 0.53
PTPN2 P17706 2/20 0.53
PTPN6 P29350 2/20 0.53
HNF4A P41235 1/20 0.49
CASP6 P55212 1/20 0.49
PTGS2 P35354 1/20 0.47
TSHR P16473 2/20 0.45
LCK P06239 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
APP P05067 4/20 0.43

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
SCHEMBL9632491 0.88 DTYMK (0.49) DTYMKPTPN1PTPN2PTPN6HNF4A
SCHEMBL29393683 0.86 PTPN1 (0.49) DTYMKPTPN1PTPN2PTPN6HNF4A
SCHEMBL7292096 0.83 DTYMK (0.54) DTYMKCASP6TSHR
SCHEMBL7292103 0.83 DTYMK (0.54) DTYMKCASP6TSHR
SCHEMBL12394313 0.80 PTPN1 (0.55) PTPN1PTPN2PTPN6HNF4ATSHR
SCHEMBL3689029 0.78 DTYMK (0.64) DTYMKCASP6TSHR
SCHEMBL130412 0.78 DTYMK (0.64) DTYMKCASP6TSHR
SCHEMBL1851121 0.78 CASP6 (0.72) DTYMKCASP6TSHR
SCHEMBL267752 0.78 DTYMK (0.64) DTYMKCASP6PTGS2TSHR
SCHEMBL1647693 0.78 DTYMK (0.64) DTYMKCASP6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359795-B1 ZWITTERION NLO-CHROMOPHORES MERCK PATENT GmbH (DE) 1992-04-15 EP disclosed
EP-0359795-A1 ZWITTERION NLO-CHROMOPHORES. MERCK PATENT GMBH (DE) 1990-03-28 EP disclosed
WO-1989008686-A1 ZWITTERION NLO-CHROMOPHORES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed