SCHEMBL9832696

SCHEMBL9832696

Cc1ccc(C(=O)O)c(NS(=O)(=O)c2nc3nccc(C)n3n2)c1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
METAP2 P50579 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL9831782 0.89 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832367 0.89 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832825 0.88 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831827 0.87 ACLY (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9830969 0.86 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831915 0.86 TSHR (0.52) ALDH1A1NPC1SMN1; SMN2PKMPOLB
SCHEMBL9832400 0.86 L3MBTL1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9834150 0.84 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832270 0.83 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9833575 0.83 ACLY (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP claimed