SCHEMBL7074528

SCHEMBL7074528

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
BIRC2 Q13490 1/20 0.35
RECQL P46063 1/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7080488 0.89 NAALAD2 (0.35) KMT2ANAALAD2MAPTALDH1A1
SCHEMBL12145025 0.71 GABRP (0.39) NAALAD2
SCHEMBL13840852 0.70 NAALAD2 (0.42) NAALAD2
SCHEMBL10492478 0.67 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14102937 0.67 NAALAD2 (0.57) NAALAD2
SCHEMBL7074520 0.67 MEN1 (0.32) MEN1TSHRKMT2ABIRC2RECQL
SCHEMBL17242795 0.66 CYSLTR2 (0.36) MEN1TSHRKMT2AALDH1A1
SCHEMBL6954475 0.66 NAALAD2 (0.43) NAALAD2
SCHEMBL17242863 0.65 GABRP (0.34) NAALAD2
SCHEMBL25600174 0.65 TSHR (0.50) MEN1TSHRKMT2ABIRC2RECQL

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