SCHEMBL19918583

SCHEMBL19918583

c1ccc2c(c1)-c1cccc3c1c-2cc1sc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc2c13

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
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
KDM4E B2RXH2 1/20 0.30
ATM Q13315 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
SCHEMBL19918587 0.95 ALDH1A1 (0.32) ALOX5ALDH1A1HPGD
SCHEMBL19918582 0.94 L3MBTL1 (0.30) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918584 0.94 L3MBTL1 (0.38) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918580 0.93 L3MBTL1 (0.36) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918577 0.90 L3MBTL1 (0.36) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918585 0.90 L3MBTL1 (0.41) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918546 0.90 KDM4E (0.37) L3MBTL1KDM4EATM
SCHEMBL19918590 0.89 L3MBTL1 (0.35) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918586 0.89 ATM (0.35) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL19918588 0.89 ATM (0.35) L3MBTL1ALDH1A1HPGDTSHRMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed