SCHEMBL23487186

SCHEMBL23487186

c1ccc(-c2nc(-n3c4cccc5c6ccccc6c6ccccc6n6c7ccccc7c3c6c54)nc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
LMNA P02545 1/20 0.44
NUDT1 P36639 3/20 0.38
ADORA2A P29274 2/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL23486959 0.91 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21449238 0.86 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18933749 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22035836 0.85 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23487221 0.85 KDM4E (0.32) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21454432 0.85 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23487175 0.85 KDM4E (0.34) ALDH1A1HPGDKDM4EMAPTL3MBTL1
SCHEMBL23487185 0.84 HPGD (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19828015 0.84 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL24596521 0.84 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTNPSR1

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 WO disclosed