SCHEMBL11519306

SCHEMBL11519306

CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(OC(C)C)cc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CA2 P00918 7/20 0.44
▸ CA1 P00915 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ GLA P06280 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL11519378 0.86 NPC1 (0.56) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11522923 0.86 NPC1 (0.56) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11518189 0.85 KMT2A (0.64) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11519502 0.85 NPC1 (0.55) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11520762 0.85 NPC1 (0.50) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11521258 0.85 NPC1 (0.58) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11584626 0.83 ALDH1A1 (0.66) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11518670 0.83 NPC1 (0.53) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11520065 0.82 NPC1 (0.52) NPC1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11522502 0.81 LMNA (0.52) NPC1KMT2AMEN1ALDH1A1MAPT

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
US-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 — — US disclosed
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