SCHEMBL6954475

SCHEMBL6954475

[CH2]CC(=O)NC(CCC(=O)O)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.43
FOLH1 Q04609 1/20 0.30
RIMKLA Q8IXN7 1/20 0.30
PLA2G2C Q5R387 1/20 0.30

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
SCHEMBL14102937 0.85 NAALAD2 (0.57) NAALAD2FOLH1RIMKLA
SCHEMBL13840852 0.84 NAALAD2 (0.42) NAALAD2FOLH1PLA2G2C
SCHEMBL12145025 0.70 GABRP (0.39) NAALAD2FOLH1
SCHEMBL6948576 0.70 GABRP (0.39) NAALAD2FOLH1
SCHEMBL7074528 0.66 MEN1 (0.36) NAALAD2
SCHEMBL1285166 0.66 TBXAS1 (0.43)
SCHEMBL17242863 0.65 GABRP (0.34) NAALAD2
SCHEMBL21494737 0.64 FOLH1 (0.64) NAALAD2FOLH1RIMKLA
SCHEMBL15764481 0.64 ALDH1A1 (0.32)
SCHEMBL7413032 0.64 MMP1 (0.36)

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-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
EP-0758328-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INTERNATIONAL LIMITED (GB) 1997-02-19 EP disclosed
WO-1995030673-A1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-16 WO disclosed