SCHEMBL8760125

SCHEMBL8760125

NNC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.62
ALDH1A1 P00352 5/20 0.61
MAPT P10636 3/20 0.61
MAPK1 P28482 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
GAA P10253 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CTSD P07339 1/20 0.53
HCAR3 P49019 1/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48

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
SCHEMBL21625555 0.86 CTSD (0.63) CASP6ALDH1A1MAPTMAPK1HTT
SCHEMBL2648700 0.86 MAPK1 (0.58) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL28512713 0.86 ALDH1A1 (0.55) CASP6ALDH1A1MAPTMAPK1HTT
SCHEMBL1252136 0.86 LMNA (0.68) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL11654108 0.85 CASP6 (0.67) CASP6ALDH1A1MAPTHTTTDP1
SCHEMBL16446085 0.85 ALDH1A1 (0.53) CASP6ALDH1A1MAPTMAPK1HTT
SCHEMBL5180766 0.85 TSHR (0.66) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL31387585 0.85 TSHR (0.66) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL13495683 0.85 TSHR (0.66) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL1483661 0.83 ALDH1A1 (0.56) CASP6ALDH1A1MAPTMAPK1HTT

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-0581904-B1 METHOD OF INHIBITING FIBROSIS UNIV DUKE (US) 1997-05-28 EP disclosed
US-5571846-A Method of inhibiting fibrosis DUKE UNIVERSITY (US) 1996-11-05 US disclosed
US-5374660-A Asministering a benzoic hydrazide to treat antigrowth of fibroblasts, fibronectins, collagen DUKE UNIVERSITY (US) 1994-12-20 US disclosed
EP-0581904-A4 METHOD OF INHIBITING FIBROSIS UNIV DUKE (US) 1994-05-25 EP disclosed
EP-0581904-A1 METHOD OF INHIBITING FIBROSIS. UNIV DUKE (US) 1994-02-09 EP disclosed
WO-1992017065-A2 METHOD OF INHIBITING FIBROSIS DUKE UNIVERSITY (US) 1992-10-15 WO disclosed
US-4309422-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1982-01-05 US disclosed