SCHEMBL9833246

SCHEMBL9833246

Cc1cccc(C(=O)O)c1NS(=O)(=O)c1nc2ncc(Cl)cn2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.52
ELANE P08246 1/20 0.37
GFER P55789 1/20 0.35
POLB P06746 2/20 0.35
METAP2 P50579 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR2 P41597 1/20 0.34
CCR4 P51679 1/20 0.34
CCR5 P51681 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9832418 0.90 ACLY (0.40) ACLYELANEMEN1LMNAKMT2A
SCHEMBL9833863 0.90 ACLY (0.46) ACLYPOLBMETAP2KDM4EMEN1
SCHEMBL9834094 0.89 ACLY (0.39) ACLYCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9831777 0.87 SLC40A1 (0.37) ACLYGFERCCR4KMT2A
SCHEMBL9832083 0.86 ACLY (0.39) ACLYMETAP2CYP1A2CYP3A4CYP2D6
SCHEMBL9832654 0.82 CCR4 (0.34) CCR4KMT2A
SCHEMBL9832065 0.81 MAPT (0.36) CCR2KDM4EMEN1LMNAKMT2A
SCHEMBL9833251 0.80 ELANE (0.36) ACLYELANENPC1ALOX15HTT
SCHEMBL8358795 0.80 SLC40A1 (0.36) GFERKMT2A
SCHEMBL9832072 0.80 ACLY (0.35) ACLYPOLBMETAP2NPC1RAB9A

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