SCHEMBL17989759

SCHEMBL17989759

CC1(C)c2cc3ccccc3cc2-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)c5ccccc5n4)c3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ HPGD P15428 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ NUDT1 P36639 3/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ CASP1 P29466 2/20 0.30
▸ CASP7 P55210 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL17548864 0.89 L3MBTL1 (0.37) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL17989653 0.88 DUSP3 (0.32) KMT2AMEN1
SCHEMBL20438181 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL18505568 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL21588671 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL17989750 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL19037030 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL22959434 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL17427632 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1HPGDLMNA
SCHEMBL17989129 0.84 HTR3A (0.34) —

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
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