SCHEMBL11520762

SCHEMBL11520762

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ACACB O00763 3/20 0.40
▸ AAK1 Q2M2I8 1/20 0.39
▸ CTDSP1 Q9GZU7 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
SCHEMBL11518670 0.87 NPC1 (0.53) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11521860 0.85 NPC1 (0.51) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11522502 0.85 LMNA (0.52) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11519306 0.85 NPC1 (0.53) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11522923 0.83 NPC1 (0.56) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11519378 0.83 NPC1 (0.56) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11518189 0.82 KMT2A (0.64) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11519502 0.82 NPC1 (0.55) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11521258 0.82 NPC1 (0.58) NPC1MEN1KMT2AALDH1A1LMNA
SCHEMBL11448192 0.82 GAA (0.42) NPC1MEN1KMT2AALDH1A1LMNA

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
Send feedback