SCHEMBL8749852

SCHEMBL8749852

NCCCC[C@H](Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
GPR35 Q9HC97 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NRP1 O14786 1/20 0.37
GRM8 O00222 1/20 0.37
GRM4 Q14833 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
SCHEMBL3259207 1.00 KAT2B (0.44) KAT2BMMP2MMP9ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9225169 0.99 KAT2B (0.45) KAT2BMMP2MMP9ALDH1A1KDM4E
SCHEMBL6150746 0.89 MMP2 (0.42) KAT2BMMP2MMP9ALDH1A1MAPT
SCHEMBL11412694 0.87 KAT2B (0.43) KAT2BALDH1A1MAPTGPR35MEN1
SCHEMBL8722580 0.87 PLK1 (0.42) ALDH1A1GPR35MEN1KMT2ACA2
SCHEMBL7543514 0.85 MMP2 (0.47) KAT2BMMP2MMP9ALDH1A1KDM4E
SCHEMBL7543508 0.85 MMP2 (0.47) KAT2BMMP2MMP9ALDH1A1KDM4E
SCHEMBL1653848 0.84 ALDH1A1 (0.46) MMP2MMP9ALDH1A1KDM4EMAPT
SCHEMBL1653003 0.82 GPR35 (0.44) ALDH1A1KDM4EMAPTGPR35MEN1
SCHEMBL10603362 0.82 GPR35 (0.44) ALDH1A1KDM4EMAPTGPR35MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035102-B1 OLIGOPEPTIDE SELECTIVELY INHIBITING THE GROWTH OR MULTIPLICATION OF NORMAL AND LEUKAEMIC MYELOID CELLS, TO BE ISOLATED FROM HEALTHY WHITE BLOOD CELLS OR GRANULOCYTES, PROCESS FOR ITS PREPARATION, AND MEDICAMENTS CONTAINING IT RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1983-10-19 EP claimed
EP-0524788-B1 Process for lysing liposome membrane WAKO PURE CHEM IND LTD (JP) 1997-02-12 EP disclosed
EP-0303229-B1 Method of high sensitivity immunoassay ISHIKAWA EIJI (JP) 1995-01-18 EP disclosed
US-5236849-A Method of high sensitivity immunoassay ISHIKAWA EIJI (JP) 1993-08-17 US disclosed
EP-0524788-A1 Process for lysing liposome membrane WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-01-27 EP disclosed
EP-0303229-A2 Method of high sensitivity immunoassay Ishikawa, Eiji (JP) 1989-02-15 EP disclosed
EP-0035102-B1 OLIGOPEPTIDE SELECTIVELY INHIBITING THE GROWTH OR MULTIPLICATION OF NORMAL AND LEUKAEMIC MYELOID CELLS, TO BE ISOLATED FROM HEALTHY WHITE BLOOD CELLS OR GRANULOCYTES, PROCESS FOR ITS PREPARATION, AND MEDICAMENTS CONTAINING IT RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1983-10-19 EP disclosed