SCHEMBL11751750

SCHEMBL11751750

COc1ccc(NC(=O)C(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.70
▸ POLB P06746 2/20 0.70
▸ KMT2A Q03164 6/20 0.70
▸ MEN1 O00255 4/20 0.70
▸ RAB9A P51151 6/20 0.68
▸ KDM4E B2RXH2 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ HPGD P15428 1/20 0.59
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ MAPT P10636 2/20 0.54

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
SCHEMBL5439226 0.83 KDM4E (0.75) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL4548097 0.82 ABCG2 (0.65) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL29124110 0.81 NPC1 (1.00) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL11291466 0.81 NPC1 (0.79) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL6396790 0.79 RAB9A (0.76) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL2114596 0.79 RAB9A (1.00) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL30273063 0.79 RAB9A (1.00) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL30273064 0.79 RAB9A (1.00) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL1600148 0.79 NPC1 (0.61) NPC1POLBKMT2AMEN1RAB9A
SCHEMBL13451640 0.78 MEN1 (0.73) NPC1POLBKMT2AMEN1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003875-A ULTRAVIOLET ABSORBERS CIBA-GEIGY CORPORATION (US) 1977-01-18 — — US claimed
US-4003875-A ULTRAVIOLET ABSORBERS CIBA-GEIGY CORPORATION (US) 1977-01-18 — — US disclosed
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