SCHEMBL19985952

SCHEMBL19985952

c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5sc4c32)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17405702 0.95 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL17405412 0.95 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL17341561 0.95 ALOX5 (0.34) ALOX5MAPTRXFP1TP53ALDH1A1
SCHEMBL17405825 0.93 ALOX5 (0.33) ALOX5MAPTRXFP1TP53ALDH1A1
SCHEMBL17406040 0.93 ALOX5 (0.33) ALOX5MAPTRXFP1TP53ALDH1A1
SCHEMBL17405760 0.92 ALOX5 (0.34) ALOX5MAPTRXFP1TP53ALDH1A1
SCHEMBL17405501 0.92 ALOX5 (0.34) ALOX5MAPTRXFP1TP53ALDH1A1
SCHEMBL17405843 0.91 ALOX5 (0.35) ALOX5MAPTRXFP1TP53
SCHEMBL19985922 0.90 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL17341626 0.90 ALOX5 (0.37) ALOX5MAPTRXFP1TP53

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