SCHEMBL29337113

SCHEMBL29337113

N#Cc1cc(C#N)c(S(=O)(=O)c2ccc(Br)cc2)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
CA2 P00918 4/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
PLCG1 P19174 1/20 0.36
APLNR P35414 4/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
VCAM1 P19320 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 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
SCHEMBL30987810 0.81 IDO1 (0.47) IDO1MAOAMAOB
SCHEMBL29337077 0.81 IDO1 (0.47) IDO1MAOAMAOB
SCHEMBL29337050 0.78 IDO1 (0.62) IDO1CA2MAOAMAOBPLCG1
SCHEMBL3157029 0.71 HSD11B1 (0.57) IDO1CA2MAPT
SCHEMBL2122562 0.69 CA2 (0.62) IDO1CA2PLCG1CA12CA1
SCHEMBL250285 0.69 CA2 (0.62) IDO1CA2PLCG1CA12CA1
SCHEMBL18187419 0.69 CA2 (0.62) IDO1CA2PLCG1CA12CA1
SCHEMBL8978700 0.69 CA2 (0.62) IDO1CA2PLCG1CA12CA1
SCHEMBL8514633 0.67 CA2 (0.59) IDO1CA2MAOAMAOBCA12
SCHEMBL30909386 0.67 TRPV4 (0.45) IDO1MAPT

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
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