SCHEMBL21942544

SCHEMBL21942544

c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6[nH]c7cc8sc9ccccc9c8cc7c6c5)ccc43)nc3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
NPY5R Q15761 2/20 0.36
LMNA P02545 1/20 0.35
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 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
SCHEMBL16475746 0.89 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21128432 0.88 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15682482 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16706369 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16706382 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16706360 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL16475749 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15682506 0.87 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23822227 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL8817943 0.87 ALDH1A1 (0.39) 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-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed