SCHEMBL9833575

SCHEMBL9833575

Cc1ccnc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)O)nn12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
CCR9 P51686 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL9832974 0.90 ALDH1A1 (0.43) CCR9ALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9831827 0.89 ACLY (0.50) ACLYALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL8358999 0.89 TSHR (0.45) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL9832270 0.88 ALDH1A1 (0.40) ACLYALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9832549 0.87 ALDH1A1 (0.40) ACLYALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9831782 0.87 ALDH1A1 (0.39) ACLYALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9832798 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1POLBTDP1
SCHEMBL9832329 0.86 TSHR (0.55) ACLYALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL9832070 0.86 L3MBTL1 (0.41) CCR9ALDH1A1SMN1; SMN2L3MBTL1NPC1
SCHEMBL9832313 0.86 TSHR (0.41) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A

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