SCHEMBL11504697

SCHEMBL11504697

[c]1cc2ccccc2n1/N=N/c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
ABCB1 P08183 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
SCHEMBL29785641 0.68 MAOA (0.77) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL275526 0.68 MAOA (0.77) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL2470956 0.68 MAOA (0.77) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL2557888 0.66 MAOA (0.74) MAOAMAOBLMNAMAPTALDH1A1
Benzene SCHEMBL10803509 0.66 MAOA (0.82) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL10884662 0.62 MAOA (0.47) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL28552825 0.61
SCHEMBL7159155 0.61 MAOA (0.65) MAOAMAOBLMNAMAPTALDH1A1
SCHEMBL13997489 0.61
SCHEMBL9403920 0.61

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
US-4138396-A Pyridyl-azo-indolyl cationic dyes CIBA-GEIGY CORPORATION (US) 1979-02-06 US disclosed