SCHEMBL9832083

SCHEMBL9832083

Cc1cnc2nc(S(=O)(=O)Nc3c(Cl)cccc3C(=O)O)nn2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.39
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
DHODH Q02127 1/20 0.34
CCR9 P51686 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CCR2 P41597 1/20 0.34
CCR4 P51679 1/20 0.34
CCR5 P51681 1/20 0.34
CLCN2 P51788 1/20 0.34
USP2 O75604 1/20 0.33
MT-CO2 P00403 1/20 0.33
TTR P02766 1/20 0.33
PLA2G1B P04054 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL9830388 0.90 LMNA (0.38) MEN1LMNAKMT2AMAPTPTGS2
SCHEMBL9833863 0.90 ACLY (0.46) ACLYMEN1LMNAKMT2AHPGD
SCHEMBL9830515 0.89 SLC40A1 (0.35) KMT2ACCR4TSHR
SCHEMBL9834743 0.88 CLCN2 (0.35) ACLYMEN1LMNAKMT2ACYP1A2
SCHEMBL9832072 0.88 ACLY (0.35) ACLYDHODHMETAP2
SCHEMBL9832427 0.88 ACLY (0.34) ACLYMEN1LMNAKMT2ACYP1A2
SCHEMBL9832928 0.88 AURKB (0.39) LMNAKMT2AMAPTHPGDTSHR
SCHEMBL9831611 0.87 MAPT (0.35) DHODHCCR9ADORA3MAPT
SCHEMBL9832309 0.86 CCR4 (0.34) CCR4TSHR
SCHEMBL8358795 0.86 SLC40A1 (0.36) KMT2ATSHR

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