SCHEMBL21032832

SCHEMBL21032832

Cc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)ccc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSPO P30536 3/20 0.40
PTGER4 P35408 1/20 0.36
NPY5R Q15761 2/20 0.36
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
FAAH O00519 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
MGLL Q99685 1/20 0.34
PTGER1 P34995 1/20 0.33
OPRD1 P41143 1/20 0.33
AVPR1A P37288 1/20 0.33
COMT P21964 1/20 0.33
DNM1 Q05193 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL25672030 0.95 L3MBTL1 (0.50) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL13776814 0.88 TSPO (0.36) ATMKDM4EL3MBTL1TSPOALDH1A1
SCHEMBL17425617 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL14805601 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL29373317 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL10042910 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL21531868 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL18680581 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL21578517 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4
SCHEMBL21152042 0.87 ATM (0.57) ATMKDM4EL3MBTL1TSPOPTGER4

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-2019101594-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-05-31 WO disclosed