SCHEMBL11519378

SCHEMBL11519378

COc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)c(N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ HSP90AA1 P07900 1/20 0.46
▸ IDO1 P14902 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11522923 0.90 NPC1 (0.56) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11519502 0.89 NPC1 (0.55) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11518189 0.89 KMT2A (0.64) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11521258 0.88 NPC1 (0.58) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11690872 0.87 NPC1 (0.75) NPC1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL11584626 0.86 ALDH1A1 (0.66) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11519306 0.86 NPC1 (0.53) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11518670 0.86 NPC1 (0.53) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11520065 0.85 NPC1 (0.52) NPC1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11522502 0.84 LMNA (0.52) NPC1ALDH1A1LMNASMN1; SMN2MEN1

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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