SCHEMBL6160631

SCHEMBL6160631

CNc1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.51
CTSV O60911 2/20 0.51
CTSL P07711 2/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.46
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL9268867 0.85 MAPT (0.65) MAPTPOLBKDM4EHTTALDH1A1
SCHEMBL5629195 0.85 SMN1; SMN2 (0.60) MAPTPOLBKDM4EATMHTT
SCHEMBL17085330 0.85 PKM (0.68) MAPTPOLBKDM4EATMHTT
SCHEMBL1531297 0.84 MAPT (1.00) MAPTHTTCTSVCTSLALDH1A1
SCHEMBL17434413 0.84 ALDH1A1 (0.54) MAPTKDM4EHTTPKMCTSV
SCHEMBL19669453 0.84 MAPT (0.51) MAPTPOLBKDM4EHTTPKM
SCHEMBL17434169 0.84 SMN1; SMN2 (0.59) MAPTPOLBHTTPKMCTSV
SCHEMBL1403472 0.83 ALDH1A1 (0.56) MAPTPOLBKDM4EHTTPKM
SCHEMBL30203403 0.83 ALDH1A1 (0.56) MAPTPOLBKDM4EHTTPKM
SCHEMBL9068677 0.82 ALDH1A1 (0.54) MAPTPOLBKDM4EHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed