SCHEMBL21882391

SCHEMBL21882391

CC(C)(O)C(C)(C)OBc1ccc(Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
RXRA P19793 1/20 0.37
NR4A2 P43354 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL21882605 0.99 ABCG2 (0.41) ABCG2MAPTMEN1KMT2ANPSR1
SCHEMBL16716042 0.93 L3MBTL1 (0.41) ABCG2MAPTMEN1KMT2ANPSR1
SCHEMBL21203038 0.92 L3MBTL1 (0.40) ABCG2MAPTMEN1KMT2ANPSR1
SCHEMBL25061707 0.86 LTA4H (0.41) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL19534131 0.86 GP6 (0.35) ABCG2MAPTMEN1KMT2AALDH1A1
SCHEMBL19534164 0.86 L3MBTL1 (0.35) ABCG2MAPTMEN1KMT2ANPSR1
SCHEMBL21557735 0.85 MEN1 (0.49) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL21319903 0.85 MEN1 (0.49) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL24689826 0.85 RAB9A (0.42) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL24534363 0.84 MEN1 (0.48) MAPTMEN1KMT2ANPSR1ALDH1A1

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
EP-3330265-B1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-15 EP disclosed