SCHEMBL11584626

SCHEMBL11584626

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MAPT P10636 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ NPC1 O15118 1/20 0.53
▸ ENPP1 P22413 5/20 0.50
▸ ENPP3 O14638 4/20 0.50
▸ ENPP2 Q13822 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B2 P37059 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 0.86 NPC1 (0.56) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11522923 0.86 NPC1 (0.56) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11518189 0.85 KMT2A (0.64) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11519502 0.85 NPC1 (0.55) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11521258 0.85 NPC1 (0.58) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11519306 0.83 NPC1 (0.53) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11518670 0.83 NPC1 (0.53) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11520065 0.82 NPC1 (0.52) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11522502 0.81 LMNA (0.52) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL11521860 0.81 NPC1 (0.51) ALDH1A1MEN1KMT2AMAPTRECQL

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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