SCHEMBL8815851

SCHEMBL8815851

CCN(CCCSc1ccc(NC(=O)c2cccc3c(=O)cc(-c4ccccc4)[nH]c23)cc1)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.43
▸ ACHE P22303 4/20 0.43
▸ ABCG2 Q9UNQ0 3/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ KDR P35968 1/20 0.38
▸ ABCB1 P08183 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ BAK1 Q16611 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR1H3 Q13133 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
SCHEMBL8815856 0.88 MEN1 (0.40) ABCG2MCHR1KDRABCB1KDM4E
SCHEMBL8808214 0.83 ABCG2 (0.46) BCHEACHEABCG2MCHR1ABCB1
SCHEMBL8807856 0.82 ABCG2 (0.45) BCHEACHEABCG2MCHR1ABCB1
SCHEMBL8815867 0.81 MEN1 (0.38) ABCG2ABCB1KDM4EALDH1A1NR1H4
SCHEMBL8808995 0.81 MCHR1 (0.49) BCHEACHEABCG2MCHR1KDR
SCHEMBL8788717 0.79 ABCG2 (0.57) BCHEACHEABCG2ABCB1MAPT
SCHEMBL8808218 0.78 ABCG2 (0.44) ABCG2ABCB1KDM4EALDH1A1HPGD
SCHEMBL8790357 0.78 ABCG2 (0.54) BCHEACHEABCG2MCHR1ABCB1
SCHEMBL8830849 0.78 MCHR1 (0.42) BCHEACHEABCG2MCHR1ABCB1
SCHEMBL8807862 0.77 ABCG2 (0.43) ABCG2ABCB1KDM4EALDH1A1HPGD

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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