SCHEMBL7360428

SCHEMBL7360428

O=[N+]([O-])c1c(NCP(=O)(O)O)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TSHR P16473 1/20 0.48
CYP3A4 P08684 1/20 0.45
NCEH1 Q6PIU2 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
ACP3 P15309 1/20 0.42
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8617763 0.81 HSP90AA1 (0.46) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL8617767 0.80 HSP90AA1 (0.42) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL8609981 0.79 HSP90AA1 (0.49) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL7358973 0.78 HSP90AA1 (0.49) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL7354454 0.78 MAPT (0.45) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL8671420 0.77 ALDH1A1 (0.52) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL7355150 0.77 CA12 (0.43) TSHRNCEH1MEN1KMT2AMAPT
SCHEMBL8618849 0.76 TSHR (0.53) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL16239187 0.76 HSP90AA1 (0.49) HSP90AA1CRHBPCRHR2TSHRCYP3A4
SCHEMBL17819091 0.74 CNR1 (0.52) HSP90AA1CRHBPCRHR2TSHRCYP3A4

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
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
CN-1038840-C para-dinitrogen naphthalene derivative, its preparation method and its medical use SCHERING AG (DE) 1998-06-24 CN disclosed
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed