Sugi Predict

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SCHEMBL23020108

SCHEMBL23020108

N#Cc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.42
▸ SQOR Q9Y6N5 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23020058 0.89 PDE4A (0.42) ABCG2MYC
SCHEMBL23020137 0.88 GRM5 (0.49) GRM5SQORTGFBR1DHODHABCG2
SCHEMBL23020336 0.87 GRM5 (0.37) GRM5SQORTGFBR1ABCG2KCNH2
SCHEMBL23020109 0.86 ALDH1A3 (0.46) TSHRMAPK1HSD17B10
SCHEMBL22652775 0.86 MAPK1 (0.48) GRM5DHODHABCG2TSHRMAPK1
SCHEMBL23020057 0.85 ALDH1A3 (0.38) SQORABCG2MYCMAPK1
SCHEMBL23020172 0.85 GRM5 (0.49) GRM5SQORTGFBR1DHODHMYC
SCHEMBL23020076 0.83 GRM5 (0.47) GRM5TGFBR1ABCG2TSHRMAPK1
SCHEMBL23020059 0.83 CYP11B1 (0.40) SQORABCG2MAPK1
SCHEMBL23020430 0.83 GRM5 (0.52) GRM5SQORABCG2KCNH2TSHR

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
EP-3392242-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-02-24 — — EP disclosed