SCHEMBL29136975

SCHEMBL29136975

Cc1ccc(S(=O)(=O)n2nc(/C=C/C(=O)O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTR6 P50406 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 5/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL24738087 0.87 PSEN1 (0.41) LMNAPPARGPPARDKMT2AMEN1
SCHEMBL2945158 0.84 CA2 (0.45) KMT2AMEN1HTR6PSEN1PSEN2
SCHEMBL2945154 0.84 CA2 (0.45) KMT2AMEN1HTR6PSEN1PSEN2
SCHEMBL2135065 0.72 CA2 (0.43) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL12787980 0.70 CYP1A2 (0.52) LMNAPPARGCYP3A4CYP2D6ALDH1A1
SCHEMBL30302203 0.68 NR1H2 (0.49) LMNAKMT2AMEN1MAPTPTGDR2
SCHEMBL1051004 0.68 CYP1A2 (0.57) LMNAPPARGCYP3A4CYP2D6AKR1B1
SCHEMBL2135077 0.68 SLC9A1 (0.44) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL1051005 0.68 CYP1A2 (0.57) LMNAPPARGCYP3A4CYP2D6AKR1B1
SCHEMBL2135071 0.68 SLC9A1 (0.44) HTR6PSEN1PSEN2APH1BNCSTN

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
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed