SCHEMBL14222649

SCHEMBL14222649

COc1ccc2c(c1)c(Br)c(C=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TDP1 Q9NUW8 4/20 0.47
▸ ATM Q13315 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PTGER4 P35408 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ BCHE P06276 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL17657914 0.78 PTGER4 (0.43) ALDH1A1MAPTL3MBTL1KDM4EHTT
SCHEMBL29952236 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1HPGDKDM4EHTT
SCHEMBL9095172 0.77 L3MBTL1 (0.51) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL19214418 0.75 PTGER4 (0.71) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL11047658 0.74 ALDH1A1 (0.81) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL7601817 0.74 MEN1 (0.64) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL14222653 0.74 L3MBTL1 (0.54) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL4824189 0.73 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL4824181 0.73 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1HPGDKDM4E
SCHEMBL29957009 0.73 MAPT (0.50) ALDH1A1MAPTL3MBTL1HPGDKDM4E

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-2008037783-A1 PROCESS FOR PREPARING 2-OXO-2,5-DIHYDRO-1H-PYRIDO[3,2-B]INDOLE-3-CARBONITRILES TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-03 — — WO disclosed
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