SCHEMBL19985922

SCHEMBL19985922

c1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5sc4c32)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.32
F9 P00740 1/20 0.32
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 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
SCHEMBL19985914 0.91 MAPT (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL19985952 0.90 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL19986006 0.90 ALOX5 (0.45) ALOX5MAPTRXFP1TP53
SCHEMBL19985951 0.90 ALOX5 (0.35) ALOX5MAPTRXFP1TP53
SCHEMBL19985913 0.89 CA12 (0.34) ALOX5TP53F9
SCHEMBL19985933 0.88 KDM4E (0.35) ALOX5MAPTRXFP1TP53
SCHEMBL19985917 0.88 KDM4E (0.35) ALOX5MAPTRXFP1TP53
SCHEMBL19985923 0.88 MAPT (0.33) MAPTRXFP1TP53
SCHEMBL19985937 0.88 MAPT (0.37) ALOX5MAPTRXFP1TP53
SCHEMBL19985931 0.87 MAPT (0.33) MAPTRXFP1TP53

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