SCHEMBL22650664

SCHEMBL22650664

c1cnc2ccc3c4ccoc4[nH]c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 5/20 0.41
NCOA1 Q15788 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP1B1 Q16678 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ERN1 O75460 1/20 0.34
ACVR1 Q04771 2/20 0.34
CYP1A1 P04798 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
SCHEMBL29832015 0.75 KIF11 (0.55) MAPTKDM4ECYP3A4SMN1; SMN2MEN1
SCHEMBL458963 0.75 KIF11 (0.55) MAPTKDM4ECYP3A4SMN1; SMN2MEN1
SCHEMBL25298405 0.70 KDM4E (0.55) MAPTKDM4ENCOA1CYP3A4SMN1; SMN2
SCHEMBL26675637 0.70 PARP1 (0.51) MAPTKDM4ECYP19A1CYP3A4SMN1; SMN2
SCHEMBL31682284 0.70 KDM4E (0.55) MAPTKDM4ENCOA1CYP3A4SMN1; SMN2
SCHEMBL17643170 0.70 NCOA1 (0.49) MAPTKDM4ECYP19A1NCOA1CYP3A4
SCHEMBL15428290 0.68 MAPT (0.52) MAPTKDM4ENCOA1CYP3A4SMN1; SMN2
SCHEMBL29539091 0.68 MAPT (0.89) MAPTKDM4ENCOA1CYP3A4SMN1; SMN2
SCHEMBL2926836 0.68 MAPT (0.89) MAPTKDM4ENCOA1CYP3A4SMN1; SMN2
SCHEMBL217044 0.67 MAPT (1.00) MAPTKDM4ENCOA1CYP3A4SMN1; SMN2

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-2020226295-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2020-11-12 WO disclosed