SCHEMBL18821316

SCHEMBL18821316

N=C(N)c1ccc2ccccc2c1-c1ccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4c3ccc3ccccc43)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ WDR5 P61964 2/20 0.34
▸ DHFR P00374 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ SOS1 Q07889 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
SCHEMBL18821318 0.99 MEN1 (0.35) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20405181 0.87 DHFR (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20405009 0.87 KDM4E (0.30) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20405513 0.87 KDM4E (0.30) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL23655251 0.83 KDM4E (0.38) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL29557713 0.81 MAPT (0.42) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL15676320 0.81 MAPT (0.42) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL18819396 0.80 MEN1 (0.34) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL20393956 0.80 CA1 (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL21394016 0.80 MAPT (0.39) KDM4EMEN1LMNAMAPTOPRK1

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-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 — — WO disclosed
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