SCHEMBL7717690

SCHEMBL7717690

CC(C)(C)OC(=O)Nc1c(Br)ccc2ccc(O)cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
LCK P06239 4/20 0.39
MIF P14174 1/20 0.39
TRPV1 Q8NER1 4/20 0.39
ATR Q13535 1/20 0.38
HTT P42858 1/20 0.36
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
SYK P43405 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.35
MAP1LC3A Q9H492 1/20 0.35

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
SCHEMBL7709280 0.81 ALDH1A1 (0.39) NQO2MEN1NPC1RAB9AKMT2A
SCHEMBL7714050 0.81 CA12 (0.41) NQO2MEN1NPC1RAB9AKMT2A
SCHEMBL7715090 0.81 NQO2 (0.49) NQO2MEN1NPC1RAB9AKMT2A
SCHEMBL24150453 0.80 NQO2 (0.42) NQO2MEN1NPC1RAB9AKMT2A
SCHEMBL486774 0.80 RXFP1 (0.42) NQO2MEN1NPC1RAB9AKMT2A
SCHEMBL31680675 0.78 TRPV1 (0.64) NQO2MEN1RAB9AKMT2ATRPV1
SCHEMBL487254 0.78 TRPV1 (0.64) NQO2MEN1RAB9AKMT2ATRPV1
SCHEMBL24150706 0.77 LCK (0.45) NQO2NPC1RAB9ALCKCA12
SCHEMBL497320 0.77 CXCR1 (0.43) NQO2MEN1NPC1RAB9AKMT2A
SCHEMBL30190664 0.75 LMNA (0.46) MEN1NPC1RAB9AKMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed