SCHEMBL9828939

SCHEMBL9828939

COc1ccc(-c2cnn(CC(=O)c3ccccc3)c(=O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
CHEK1 O14757 1/20 0.47
HSD11B1 P28845 2/20 0.47
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CTSD P07339 1/20 0.43
RAB9A P51151 2/20 0.43
PRKDC P78527 1/20 0.43
ATR Q13535 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9828844 0.94 CHEK1 (0.50) MGAMAMY1AGAASIMGAM2
SCHEMBL9828617 0.90 ALDH1A1 (0.51) MGAMAMY1AGAASIMGAM2
SCHEMBL9828154 0.84 LMNA (0.46) CHEK1NPC1ALDH1A1LMNARXFP1
SCHEMBL9829358 0.82 CHEK1 (0.44) CHEK1NPC1ALDH1A1LMNAHPGD
SCHEMBL9829354 0.81 CHEK1 (0.43) CHEK1NPC1ALDH1A1LMNARXFP1
SCHEMBL9828641 0.80 MAPT (0.47) ALDH1A1HPGDRXFP1MAPTRAB9A
SCHEMBL9829126 0.77 CHEK1 (0.40) CHEK1NPC1LMNARXFP1MAPT
SCHEMBL29193525 0.73 SRC (0.52) MGAMAMY1AGAASIMGAM2
SCHEMBL29050566 0.73 SRC (0.77) MGAMAMY1AGAASIMGAM2
SCHEMBL9829223 0.73 MEN1 (0.39) NPC1ALDH1A1HPGDRAB9AMEN1

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-0233804-B1 MONOARYL-5-AS TRIAZINONES SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PIERRE FABRE MEDICAMENT (FR) 1991-09-25 EP claimed