SCHEMBL8558204

SCHEMBL8558204

C1=CC(c2ccccc2)Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
TNKS2 Q9H2K2 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NOS2 P35228 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PBRM1 Q86U86 1/20 0.30

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
SCHEMBL17634322 0.85 KMT2A (0.41) MAPTGAAMEN1KMT2ATNKS2
SCHEMBL4287850 0.85 KMT2A (0.41) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL18562458 0.81 MEN1 (0.45) MAPTGAAMEN1KMT2ANPC1
SCHEMBL15748613 0.80 GAA (0.35) MAPTGAAMEN1KMT2ANPC1
SCHEMBL26676098 0.74 MAPT (0.31) MAPTGAAMEN1KMT2ANPC1
SCHEMBL30695372 0.74 PBRM1 (0.41) MAPTGAAMEN1KMT2ANPC1
SCHEMBL6864882 0.72 GAA (0.34) MAPTGAANOS2
SCHEMBL18562457 0.71 GAA (0.44) MAPTGAA
SCHEMBL4540870 0.71 GAA (0.44) MAPTGAA
SCHEMBL12159337 0.71 GAA (0.44) MAPTGAAMEN1KMT2ATNKS2

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
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP disclosed