SCHEMBL29337077

SCHEMBL29337077

N#Cc1ccc(S(=O)(=O)c2ccc(Br)cc2)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
HSD11B1 P28845 5/20 0.43
TRPV4 Q9HBA0 3/20 0.40
RAD51 Q06609 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
STS P08842 1/20 0.37
LMNA P02545 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
SCHEMBL30987810 1.00 IDO1 (0.47) IDO1HSD11B1TRPV4RAD51MAOA
SCHEMBL29273424 0.83 TRPV4 (0.46) HSD11B1TRPV4RAD51ALDH1A1ABCC9
SCHEMBL29337113 0.81 IDO1 (0.45) IDO1MAOAMAOB
SCHEMBL30909386 0.80 TRPV4 (0.45) IDO1HSD11B1TRPV4
SCHEMBL29337050 0.79 IDO1 (0.62) IDO1MAOAMAOB
SCHEMBL3157029 0.79 HSD11B1 (0.57) IDO1HSD11B1KMT2AALDH1A1KDM4E
SCHEMBL7765655 0.73 TRPV4 (0.60) HSD11B1TRPV4RAD51STS
SCHEMBL9713772 0.72 HTR6 (0.50) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5865136 0.72 KDM4E (0.57) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL13239515 0.70 HSD11B1 (0.44) HSD11B1TRPV4MAOAMAOBMEN1

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