SCHEMBL9959528

SCHEMBL9959528

CC(=O)N(c1ccccc1)c1ccc2c(c1)C(=O)N(OCc1ccccc1)C(=O)C2C(=O)NCc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 4/20 0.37
APP P05067 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 1/20 0.34
PAX8 Q06710 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10153706 0.87 PRMT5 (0.43) L3MBTL1MEN1KMT2AALDH1A1APP
SCHEMBL9959326 0.87 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRPRMT5
SCHEMBL9959556 0.84 PRMT5 (0.46) L3MBTL1MEN1KMT2AALDH1A1APP
SCHEMBL9959735 0.84 KMT2A (0.33) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL9958824 0.83 ALDH1A1 (0.44) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL9959530 0.80 ALDH1A1 (0.43) L3MBTL1MEN1KMT2AALDH1A1LMNA
SCHEMBL9959313 0.78 KCNA5 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10153721 0.77 KDR (0.47) L3MBTL1LMNAMAPTPRMT5WDR77
SCHEMBL9959558 0.76 KCNA5 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10153600 0.75 MAPT (0.44) MEN1KMT2AALDH1A1TSHRLMNA

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
WO-2012085003-A1 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-28 WO disclosed