SCHEMBL8977246

SCHEMBL8977246

COc1cc2[nH]c(=O)n(-c3ccccc3C)c(=O)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
KDM4E B2RXH2 6/20 0.70
HPGD P15428 4/20 0.70
HSD17B10 Q99714 4/20 0.70
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
HIF1A Q16665 1/20 0.60
PKM P14618 1/20 0.54
MAPT P10636 5/20 0.51
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.48
MPO P05164 2/20 0.46
XDH P47989 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL14596918 0.79 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL28286807 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6981145 0.75 HSD17B10 (0.74) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL29326420 0.73 HSD17B10 (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL29326398 0.72 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL5009323 0.72 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL29326500 0.72 TNKS2 (0.60) KDM4ETP53HTTGAA
SCHEMBL27191918 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL23791555 0.70 CTSV (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL6981288 0.70 NPEPPS (0.56) ALDH1A1KDM4EHPGDHSD17B10TP53

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
US-5539114-A Process for the preparation of substituted quinazoline-2,4,-diones HOECHST AG (DE) 1996-07-23 US disclosed