SCHEMBL4243774

SCHEMBL4243774

O=c1cc(COc2ccc(F)cc2)cc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.54
ABL1 P00519 1/20 0.54
PPARG P37231 1/20 0.54
RIN1 Q13671 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
DAO P14920 1/20 0.48
MAOB P27338 12/20 0.47
APP P05067 1/20 0.47
NR4A2 P43354 1/20 0.46
MAOA P21397 2/20 0.46
ACHE P22303 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PTPN1 P18031 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
SCHEMBL1003510 0.84 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL1753704 0.83 NSD2 (0.71) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL14151016 0.75 NSD2 (0.63) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL27550091 0.72 MAOB (0.80) MAOBAPPNR4A2CA12CA1
SCHEMBL4239245 0.71 MAOA (0.49) DAOMAOBMAOA
SCHEMBL94520 0.71 NSD2 (0.54) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL27521276 0.70 MAOB (0.77) MAOBNR4A2MAOAPARP10
SCHEMBL136664 0.70 NSD2 (1.00) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL119148 0.70 NSD2 (0.69) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL15111297 0.70 NSD2 (0.64) NSD2ABL1PPARGRIN1L3MBTL1

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-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed