SCHEMBL19985981

SCHEMBL19985981

c1ccc2c(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 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
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19985967 0.94 ALDH1A1 (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19986013 0.94 ALDH1A1 (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19985979 0.93 ALDH1A1 (0.33) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19986012 0.92 ALDH1A1 (0.33) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19985992 0.92 ALDH1A1 (0.34) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19986009 0.92 ALDH1A1 (0.41) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19985949 0.92 ALDH1A1 (0.43) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19985953 0.91 ALDH1A1 (0.37) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19985954 0.90 ALDH1A1 (0.31) HPGDALDH1A1KDM4EMAPTNPSR1
SCHEMBL19985980 0.90 KDM4E (0.31) HPGDALDH1A1KDM4EMAPTNPSR1

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