SCHEMBL22045006

SCHEMBL22045006

Cc1ccc2c(c1)Sc1c(C)cccc1N2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DRD3 P35462 2/20 0.36
MAPT P10636 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BCHE P06276 2/20 0.33
NOX1 Q9Y5S8 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B3 P37058 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL7070321 0.86 HDAC6 (0.41) MEN1KMT2ADRD3MAPTBCHE
SCHEMBL12433671 0.85 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL21692930 0.84 BCHE (0.43) MEN1KMT2ADRD3MAPTBCHE
SCHEMBL13203010 0.83 KMT2A (0.45) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL24858858 0.83 MGLL (0.37) MEN1KMT2AMAPTBCHEGAA
SCHEMBL16773180 0.78 HDAC6 (0.40) MEN1KMT2AMAPTBCHEHDAC6
SCHEMBL13021679 0.77 MGLL (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL16773498 0.75 HDAC6 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12374358 0.74 ELANE (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22044194 0.74 HSP90AA1 (0.41) MEN1KMT2ACYP2C9CYP2C19MAPT

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-10669473-B2 Organic molecules for use in optoelectronic components CYNORA GMBH (DE) 2020-06-02 US disclosed