SCHEMBL8808218

SCHEMBL8808218

COc1ccc(N(C)CCCc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.44
▸ ABCB1 P08183 4/20 0.44
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PLA2G7 Q13093 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38

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
SCHEMBL8807862 0.98 ABCG2 (0.43) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8808214 0.91 ABCG2 (0.46) ABCG2ABCB1MAPTNR1H4ALDH1A1
SCHEMBL8807856 0.89 ABCG2 (0.45) ABCG2ABCB1MAPTNR1H4ALDH1A1
SCHEMBL8809001 0.89 KDR (0.47) ABCG2MAPTMEN1KMT2AHPGD
SCHEMBL8808228 0.83 ABCG2 (0.43) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8807874 0.82 ABCG2 (0.43) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8808995 0.81 MCHR1 (0.49) ABCG2ABCB1MEN1KMT2ATP53
SCHEMBL8815856 0.81 MEN1 (0.40) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8815851 0.78 BCHE (0.43) ABCG2ABCB1MAPTMEN1KMT2A
SCHEMBL8810669 0.78 ABCB1 (0.68) ABCG2ABCB1

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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