SCHEMBL19918480

SCHEMBL19918480

c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7oc8cc9c%10c(c(-c%11ccc%12c(ccc%13c%12c%12cc(-c%14ccc%15oc%16cc%17c%18c(cccc%18c%16c%15c%14)-c%14ccccc%14-%17)ccc%12n%13-c%12nc(-c%13ccccc%13)c%13ccccc%13n%12)c%11)ccc%10c8c7c6)-c6ccccc6-9)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL19918481 0.91 KDM4E (0.31) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL19918491 0.91
SCHEMBL19918485 0.88 KDM4E (0.32) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL19918490 0.87 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL19918678 0.84 ALDH1A1 (0.32) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL19918683 0.84 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL19918677 0.83 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL19918679 0.82 ALDH1A1 (0.33) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL19918682 0.81 PTGES (0.35) KDM4EALDH1A1HPGD
SCHEMBL25630517 0.81 ALDH1A1 (0.39) L3MBTL1KDM4EALDH1A1LMNAHPGD

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