SCHEMBL19918552

SCHEMBL19918552

c1ccc(-c2ccc(-n3c4ccc(-c5ccc6sc7ccccc7c6c5)cc4c4c5cccc6c5c(cc43)-c3ccccc3-6)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.34
ALOX5 P09917 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSPO P30536 1/20 0.31
LIMK1 P53667 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
GPR3 P46089 1/20 0.30
F9 P00740 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
SCHEMBL19918551 0.99 PIM3 (0.34) PIM3ALOX5L3MBTL1ALDH1A1HPGD
SCHEMBL19918549 0.96 L3MBTL1 (0.35) PIM3ALOX5L3MBTL1ALDH1A1HPGD
SCHEMBL19918557 0.95 PIM3 (0.36) PIM3ALOX5L3MBTL1ALDH1A1HPGD
SCHEMBL19918550 0.95 PIM3 (0.36) PIM3ALOX5L3MBTL1ALDH1A1HPGD
SCHEMBL19918501 0.94 L3MBTL1 (0.34) ALOX5L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL19918559 0.94 PIM3 (0.35) PIM3ALOX5
SCHEMBL19918553 0.94 PIM3 (0.35) PIM3ALOX5ALDH1A1ATM
SCHEMBL19918495 0.93 ALOX5 (0.33) ALOX5L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL19918499 0.93 PIM3 (0.32) PIM3L3MBTL1ALDH1A1HPGDTSHR
SCHEMBL19918562 0.92 TSPO (0.34) PIM3L3MBTL1TSPOKDM4EATM

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