SCHEMBL19986090

SCHEMBL19986090

c1ccc2c(c1)oc1cccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)cc3)c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
BACE1 P56817 1/20 0.34
CDC14B O60729 2/20 0.31
CDC14A Q9UNH5 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 1/20 0.31
PPARG P37231 3/20 0.31
RXFP1 Q9HBX9 3/20 0.31
NR2E3 Q9Y5X4 3/20 0.31
NCOR2 Q9Y618 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ATM Q13315 1/20 0.30
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
SCHEMBL19986063 0.92 KDM4E (0.37) ALOX5CDC14BCDC14AALDH1A1KDM4E
SCHEMBL19986067 0.92 ALOX5 (0.44) ALOX5CDC14BCDC14AALDH1A1KDM4E
SCHEMBL19986019 0.91 ENPP3 (0.33) ALOX5CDC14BCDC14AALDH1A1KDM4E
SCHEMBL19986076 0.90 KDM4E (0.37) ALOX5CDC14BCDC14AALDH1A1KDM4E
SCHEMBL19986101 0.90 ALOX5 (0.33) ALOX5CDC14BCDC14A
SCHEMBL19986086 0.89 BRDT (0.34) ALOX5
SCHEMBL19986089 0.88 ALOX5 (0.36) ALOX5CDC14BCDC14AALDH1A1KDM4E
SCHEMBL19986007 0.88 KDM4E (0.37) CDC14BCDC14AALDH1A1KDM4EHTT
SCHEMBL19986042 0.88 KDM4E (0.37) CDC14BCDC14AALDH1A1KDM4EHTT
SCHEMBL21366945 0.86 KDM4E (0.39) BACE1ALDH1A1KDM4EATML3MBTL1

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