SCHEMBL19985949

SCHEMBL19985949

c1ccc(-c2nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)nc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 2/20 0.41
NUDT1 P36639 3/20 0.35
ADORA2A P29274 2/20 0.35
ATM Q13315 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 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
SCHEMBL19986009 0.98 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL24171872 0.95 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011983 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17405397 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17405690 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15138757 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL30498475 0.94 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985953 0.93 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011991 0.92 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22011587 0.92 ALDH1A1 (0.42) 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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed