SCHEMBL6160731

SCHEMBL6160731

Nc1cc(-c2nnn[nH]2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP2 Q13822 1/20 0.32

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
SCHEMBL30019690 0.87 USP2 (0.30) USP2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL12480275 0.87 USP2 (0.30) USP2ALDH1A1MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL12480590 0.85
Hydrochloric Acid SCHEMBL12480774 0.85
SCHEMBL24689983 0.82 IKBKB (0.39)
SCHEMBL30020351 0.82 IKBKB (0.39)
SCHEMBL24690096 0.81
SCHEMBL29581828 0.80 ENPP2 (0.54) USP2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL266617 0.80 ENPP2 (0.54) USP2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24690305 0.80 RXRA (0.44) ALDH1A1

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