SCHEMBL9834150

SCHEMBL9834150

Cc1ccc(C)c(C(=O)O)c1NS(=O)(=O)c1nc2nccc(C)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9831239 0.89 L3MBTL1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9833972 0.86 TSHR (0.54) ALDH1A1NPC1SMN1; SMN2PKMTSHR
SCHEMBL9832508 0.86 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832825 0.85 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831000 0.85 L3MBTL1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831827 0.84 ACLY (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832696 0.84 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831457 0.80 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832594 0.79 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9832487 0.79 LMNA (0.40) 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