SCHEMBL29337050

SCHEMBL29337050

N#Cc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.62
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
CA2 P00918 5/20 0.50
CA1 P00915 4/20 0.50
CA9 Q16790 3/20 0.50
CA12 O43570 2/20 0.50
CYP19A1 P11511 1/20 0.44
PLCG1 P19174 1/20 0.43
NR3C1 P04150 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL8514633 0.89 CA2 (0.59) IDO1MAOBMAOACA2CA1
SCHEMBL8978700 0.82 CA2 (0.62) IDO1CA2CA1CA9CA12
SCHEMBL2122562 0.82 CA2 (0.62) IDO1CA2CA1CA9CA12
SCHEMBL18187419 0.82 CA2 (0.62) IDO1CA2CA1CA9CA12
SCHEMBL250285 0.82 CA2 (0.62) IDO1CA2CA1CA9CA12
SCHEMBL154636 0.82
Water SCHEMBL27994834 0.82 MAOB (0.73) IDO1MAOBMAOACA2CA1
SCHEMBL161783 0.81 HTR6 (0.61) MAOBMAOACA2CA1CA9
SCHEMBL29337077 0.79 IDO1 (0.47) IDO1MAOBMAOA
SCHEMBL30987810 0.79 IDO1 (0.47) IDO1MAOBMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO claimed
WO-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO disclosed
WO-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO disclosed