SCHEMBL19985913

SCHEMBL19985913

c1ccc2c(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)cccc2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
ALOX5 P09917 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKDC P78527 1/20 0.32
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
F9 P00740 1/20 0.31
TP53 P04637 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
SCHEMBL17427580 0.94 CA12 (0.35) CA12CA1CA2CA9ALOX5
SCHEMBL19985965 0.90 ALOX5 (0.33) ALOX5TP53
SCHEMBL19986181 0.90 ALOX5 (0.44) ALOX5PRKDCTP53
SCHEMBL19985988 0.90 ALOX5 (0.34) ALOX5TP53
SCHEMBL19985922 0.89 ALOX5 (0.34) ALOX5F9TP53
SCHEMBL17427708 0.89 CA12 (0.34) CA12CA1CA2CA9ALOX5
SCHEMBL19985907 0.89 ALDH1A1 (0.32) ALOX5TP53
SCHEMBL19985943 0.88 KDM4E (0.37) ALOX5TP53
SCHEMBL19985925 0.88 KDM4E (0.37) ALOX5TP53
SCHEMBL18748647 0.87 ALOX5 (0.37) CA12CA1CA2CA9ALOX5

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