SCHEMBL26029337

SCHEMBL26029337

N#Cc1ccc(S(=O)(=O)N2CCC3(CCC(N4CCOCC4)C3)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 13/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALK Q9UM73 2/20 0.42
CYP19A1 P11511 1/20 0.42
HSD11B1 P28845 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL25363568 0.89 CYP19A1 (0.43) TRPV4TRPM8CYP19A1HSD11B1CYP3A4
SCHEMBL26025566 0.83 TRPV4 (0.43) TRPV4TRPM8ALKCYP19A1HSD11B1
SCHEMBL26025706 0.83 HPGD (0.49) HSD11B1CYP3A4MEN1KMT2A
SCHEMBL3333148 0.81 TSHR (0.50) TRPV4TRPM8CYP19A1CYP3A4KCNH2
SCHEMBL26025712 0.78 HPGD (0.37) ALKHSD11B1IRAK4CYP3A4MEN1
SCHEMBL26027687 0.78 HPGD (0.37) ALKHSD11B1IRAK4CYP3A4MEN1
SCHEMBL26027684 0.78 HPGD (0.37) ALKHSD11B1IRAK4CYP3A4MEN1
SCHEMBL26028271 0.78 GAA (0.39) HSD11B1
SCHEMBL26029369 0.76 SMN1; SMN2 (0.44) IRAK4MEN1KMT2A
SCHEMBL26029381 0.76 ALDH1A1 (0.42) MEN1KMT2A

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-2023154499-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-17 WO disclosed