SCHEMBL8304862

SCHEMBL8304862

O=C(NS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.76
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 1/20 0.57
TP53 P04637 1/20 0.56
FLT1 P17948 4/20 0.56
FLT4 P35916 4/20 0.56
KDR P35968 4/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL6469330 0.92 CA2 (0.67) GAACA1CA2MMP1MMP2
SCHEMBL6642132 0.89 GAA (0.62) GAAMEN1KMT2APOLBFLT1
SCHEMBL7743287 0.86 MAPT (0.68) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL8661710 0.85 FLT1 (0.74) GAACA1CA2MMP1MMP2
SCHEMBL10223134 0.85 POLB (0.79) GAAMEN1KMT2APOLBALDH1A1
SCHEMBL8654939 0.84 FLT1 (0.76) GAACA1CA2MMP1MMP2
SCHEMBL9483722 0.83 POLB (0.63) GAACA1CA2MEN1KMT2A
SCHEMBL9303677 0.82 SMN1; SMN2 (0.60) GAAMMP1MMP2MMP9MMP8
SCHEMBL6639356 0.81 KMT2A (0.61) GAAMEN1KMT2APOLBTP53
SCHEMBL5742827 0.80 FLT1 (0.74) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212010-A1 Color developers for pressure-sensitive or heat-sensitive recording papers THE STANDARD REGISTER COMPANY (US) 1987-03-04 EP claimed
US-4531139-A Color developers for pressure-sensitive or heat-sensitive recording papers THE STANDARD REGISTER COMPANY (US) 1985-07-23 US claimed
EP-0562855-B1 Carbapenem compounds as antibiotics ZENECA LTD (GB) 1999-05-12 EP disclosed
US-5571805-A FOR TREATING BACTERIAL INFECTIONS IN MAMMALS ZENECA LIMITED (GB) 1996-11-05 US disclosed
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP disclosed
US-5360802-A Antagonists of cholecystokinin and gastrin MERCK SHARPE & DOHME LTD. 1994-11-01 US disclosed
US-5302591-A Nervous system disorders MERCK SHARPE & DOHME LTD. (GB) 1994-04-12 US disclosed
EP-0562855-A1 Carbapenem compounds as antibiotics ZENECA LIMITED (GB) 1993-09-29 EP disclosed
EP-0514133-A1 Benzodiazepine derivatives, compositions containing them and their use in therapy MERCK SHARP & DOHME LTD. (GB) 1992-11-19 EP disclosed