SCHEMBL19985979

SCHEMBL19985979

c1ccc2c(c1)ccc1ccc(-c3nc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)nc4ccccc34)cc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19986012 0.95 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985992 0.93 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985981 0.93 HPGD (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985967 0.91 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19986013 0.89 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19986009 0.89 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985949 0.89 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15138928 0.88 HPGD (0.34) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985953 0.88 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL19985980 0.87 KDM4E (0.31) 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