SCHEMBL7080488

SCHEMBL7080488

C[C@@H](NC(=O)CC(CCC(=O)O)c1nnn[nH]1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.35
FAAH O00519 1/20 0.35
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 3/20 0.33
LTA4H P09960 3/20 0.32
MME P08473 1/20 0.32
ANPEP P15144 1/20 0.32
ECE1 P42892 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7074528 0.89 MEN1 (0.36) NAALAD2KMT2AALDH1A1MAPT
SCHEMBL12145025 0.74 GABRP (0.39) NAALAD2CYP1A2FOLH1ANPEP
SCHEMBL13840852 0.73 NAALAD2 (0.42) NAALAD2CYP1A2FOLH1
SCHEMBL14102937 0.70 NAALAD2 (0.57) NAALAD2FOLH1
SCHEMBL17242795 0.69 CYSLTR2 (0.36) KMT2AALDH1A1
SCHEMBL6954475 0.69 NAALAD2 (0.43) NAALAD2FOLH1
SCHEMBL17242863 0.68 GABRP (0.34) NAALAD2CYP1A2
SCHEMBL4122580 0.67 APEX1 (0.35) KDM4EALDH1A1
SCHEMBL6948576 0.67 GABRP (0.39) NAALAD2CYP1A2KMT2AMAPTFOLH1
SCHEMBL4572566 0.66 ALDH1A1 (0.51) FAAHCYP1A2KDM4EALDH1A1MAPT

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 1 patent. 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