SCHEMBL9833348

SCHEMBL9833348

Cc1ccn2nc(S(=O)(=O)Nc3c(C)ccc(C(=O)O)c3Br)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.35
TSHR P16473 1/20 0.32
METAP2 P50579 1/20 0.32
SORT1 Q99523 3/20 0.31
HTR6 P50406 1/20 0.31
EGFR P00533 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9833253 0.89 TSHR (0.35) TSHREGFRALDH1A1
SCHEMBL9833689 0.88 ACLY (0.36) ACLYTSHRMETAP2HTR6EGFR
SCHEMBL9832660 0.87 NHERF1 (0.35) TSHRALDH1A1
SCHEMBL9831009 0.86 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL9832877 0.86 ACLY (0.47) ACLYTSHRMETAP2SORT1ALDH1A1
SCHEMBL9831761 0.85 TSHR (0.35) ACLYTSHRMETAP2HTR6USP2
SCHEMBL9831934 0.82 TSHR (0.51) TSHRUSP2ALDH1A1
SCHEMBL9832689 0.82 ACLY (0.39) ACLYSORT1EGFRALDH1A1
SCHEMBL9833655 0.82 ACLY (0.39) ACLYSORT1EGFRALDH1A1
SCHEMBL9834365 0.81 METAP2 (0.33) ACLYTSHRMETAP2SORT1ALDH1A1

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