SCHEMBL12909044

SCHEMBL12909044

C=C/C=C\c1c(C)c2ccccc2n1-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC4 P56524 1/20 0.36
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ KMT2A Q03164 1/20 0.31
▸ RORC P51449 1/20 0.30
▸ CYP11B2 P19099 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
SCHEMBL22131447 0.93 KDM4E (0.42) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL14421410 0.92 KDM4E (0.37) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL13874920 0.91 KDM4E (0.37) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL27415121 0.90 KDM4E (0.36) KDM4EATML3MBTL1HDAC4AKR1C4
SCHEMBL13709331 0.89 KDM4E (0.40) KDM4EATML3MBTL1
SCHEMBL18436869 0.89 KDM4E (0.46) KDM4EATML3MBTL1KMT2ARORC
SCHEMBL18574584 0.88 KDM4E (0.38) KDM4EATML3MBTL1RORC
SCHEMBL20698444 0.88 KDM4E (0.45) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL29338823 0.87 KDM4E (0.37) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL18643556 0.86 KDM4E (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725793-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-10-21 — — EP disclosed
WO-2011013843-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-02-03 — — WO disclosed
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