SCHEMBL9303363

SCHEMBL9303363

O=C1CCCC(=O)N1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
APEX1 P27695 1/20 0.47
CASP6 P55212 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PARL Q9H300 1/20 0.45
FKBP1A P62942 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OPRK1 P41145 1/20 0.41
CXCR2 P25025 1/20 0.41

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
SCHEMBL29006929 0.81 GAA (0.46) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL9303275 0.77 ALDH1A1 (0.50) POLBMAPTLMNAGAAALDH1A1
SCHEMBL9303944 0.77 MEN1 (0.49) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL11213475 0.74 CYP1A2 (0.53) CASP6TDP1MAPTLMNAGAA
SCHEMBL6002938 0.74 MAPT (0.43) POLBAPEX1CASP6TDP1MAPT
SCHEMBL6140639 0.74 MAPT (0.62) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL9305057 0.73 MEN1 (0.62) POLBCASP6CTDSP1MAPTLMNA
SCHEMBL3989887 0.71 L3MBTL1 (0.53) POLBTDP1MAPTGAAALDH1A1
SCHEMBL7549606 0.70 MAPT (0.58) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL9303213 0.70 MAPT (0.49) MAPTGAAALDH1A1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312565-A Nonlinear optical materials E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-05-17 US claimed
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP claimed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO claimed
US-5312565-A Nonlinear optical materials E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed
EP-0546113-A1 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-16 EP disclosed
WO-1992003417-A2 NONLINEAR OPTICAL MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-05 WO disclosed