SCHEMBL8815867

SCHEMBL8815867

CCC(NCCCSc1ccc(NC(=O)c2cccc3c(=O)cc(-c4ccccc4)[nH]c23)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL8815856 0.82 MEN1 (0.40) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8808228 0.81 ABCG2 (0.43) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8815851 0.81 BCHE (0.43) MEN1KMT2AMAPTABCG2ABCB1
SCHEMBL8807874 0.81 ABCG2 (0.43) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8809008 0.80 MAPT (0.39) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8830855 0.78 ABCG2 (0.37) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8808218 0.73 ABCG2 (0.44) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8808214 0.73 ABCG2 (0.46) MAPTABCG2ABCB1ALDH1A1KDM4E
SCHEMBL8809001 0.72 KDR (0.47) MEN1KMT2AMAPTABCG2SMN1; SMN2
SCHEMBL8807856 0.72 ABCG2 (0.45) MAPTABCG2ABCB1ALDH1A1KDM4E

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-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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