SCHEMBL9831827

SCHEMBL9831827

Cc1cccc(C(=O)O)c1NS(=O)(=O)c1nc2nccc(C)n2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.50
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
PKM P14618 1/20 0.47
METAP2 P50579 1/20 0.42
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 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
SCHEMBL9831673 0.89 L3MBTL1 (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9833575 0.89 ACLY (0.43) ACLYNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL9832549 0.89 ALDH1A1 (0.40) ACLYNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL9832696 0.87 ALDH1A1 (0.42) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9831492 0.86 ALDH1A1 (0.56) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9834165 0.86 DHODH (0.41) ACLYNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL9834364 0.86 TSHR (0.57) ACLYNPC1SMN1; SMN2ALDH1A1METAP2
SCHEMBL9832825 0.86 ALDH1A1 (0.41) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9832089 0.86 L3MBTL1 (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9834150 0.84 ALDH1A1 (0.43) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1

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