SCHEMBL16613621

SCHEMBL16613621

CC1(C)C=Cc2nc(-n3c4ccccc4c4ccccc43)nc(-c3cccc(-c4ccccc4)c3)c21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.30
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
SCHEMBL16613692 0.95 L3MBTL1 (0.31) L3MBTL1KDM4EALDH1A1ATMLMNA
SCHEMBL16613526 0.93 KDM4E (0.35) L3MBTL1KDM4EALDH1A1ATMLMNA
SCHEMBL16613525 0.93 KDM4E (0.36) L3MBTL1KDM4EALDH1A1ATMLMNA
SCHEMBL16613548 0.89 TUBB4A (0.35)
SCHEMBL16613512 0.86 DUSP3 (0.32) L3MBTL1KDM4EALDH1A1ATMLMNA
SCHEMBL16613693 0.86 L3MBTL1 (0.33) L3MBTL1KDM4EALDH1A1ATMLMNA
SCHEMBL16613432 0.84 TP53 (0.30)
SCHEMBL16613587 0.81 ENPP1 (0.36)
SCHEMBL16613547 0.81 TUBB4A (0.36) KDM4EALDH1A1HPGD
SCHEMBL16613622 0.79 KDM4E (0.38) L3MBTL1KDM4EATM

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-2015047058-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed