SCHEMBL19985980

SCHEMBL19985980

c1ccc2c(-c3ccc4oc5ccccc5c4c3)nc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)nc2c1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHEK2 O96017 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL19985954 0.95 ALDH1A1 (0.31) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL22012052 0.92
SCHEMBL17660894 0.90 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL22199911 0.90 PRKDC (0.33) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL19985981 0.90 HPGD (0.35) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL22708599 0.90 LIMK1 (0.33) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL19985967 0.88 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL19988656 0.87
SCHEMBL19985979 0.87 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL22011393 0.87 HPGD (0.35) KDM4EALDH1A1MAPTHPGDNPSR1

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