SCHEMBL11522923

SCHEMBL11522923

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ KMT2A Q03164 4/20 0.53
▸ LMNA P02545 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ ENPP2 Q13822 4/20 0.46
▸ ENPP3 O14638 3/20 0.46
▸ ENPP1 P22413 3/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ PKM P14618 1/20 0.43

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 0.90 NPC1 (0.56) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11519502 0.89 NPC1 (0.55) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11518189 0.89 KMT2A (0.64) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11521258 0.88 NPC1 (0.58) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11519306 0.86 NPC1 (0.53) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11584626 0.86 ALDH1A1 (0.66) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11518670 0.86 NPC1 (0.53) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11520065 0.85 NPC1 (0.52) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11522502 0.84 LMNA (0.52) NPC1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL11521860 0.84 NPC1 (0.51) NPC1KMT2ALMNAMEN1SMN1; SMN2

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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