SCHEMBL21263732

SCHEMBL21263732

CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2cccc4ccccc24)ccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NTSR1 P30989 2/20 0.32
▸ TLR4 O00206 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31

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
SCHEMBL18505535 0.92 PDE10A (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL24078191 0.90 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL18505533 0.90 KDM4E (0.34) KDM4EALDH1A1MAPTHPGDATM
SCHEMBL25966458 0.90 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL2603602 0.90 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL2603610 0.90 ALDH1A1 (0.33) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL25966464 0.89 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL24558410 0.89 TUBB4A (0.32) KDM4EALDH1A1TP53ATMSMN1; SMN2
SCHEMBL25966563 0.89 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL18564321 0.88 KDM4E (0.34) KDM4EATML3MBTL1

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-2019154159-A1 METAL IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING METAL IRIDIUM COMPLEX 石家庄诚志永华显示材料有限公司 2019-08-15 — — WO disclosed
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