SCHEMBL20315909

SCHEMBL20315909

c1ccc(-c2nc(-n3c4ccccc4c4c5c(ccc43)[nH]c3c4ccccc4c4ccccc4c35)nc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.36
NUDT1 P36639 3/20 0.35
ADORA2A P29274 2/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 1/20 0.34
TDO2 P48775 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
SCHEMBL18926354 0.86 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20226344 0.85 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20226343 0.85 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20152128 0.85 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20152126 0.85 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22013017 0.83 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22211864 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL24596521 0.82 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20226357 0.81 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20226359 0.81 ALDH1A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180182970-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-28 US disclosed
US-20180182970-A1 COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-06-28 US disclosed