SCHEMBL29948804

SCHEMBL29948804

COc1ccc(S(=O)(=O)Cl)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
OPRD1 P41143 1/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
CA2 P00918 6/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 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
SCHEMBL1874207 1.00 TRPV4 (0.49) TRPV4KEAP1NFE2L2L3MBTL1OPRD1
SCHEMBL2804046 0.87 L3MBTL1 (0.45) TRPV4L3MBTL1OPRD1PKMCA2
SCHEMBL31235134 0.82 CA2 (0.51) KEAP1NFE2L2L3MBTL1PKMCA2
SCHEMBL16936936 0.82 CA2 (0.51) KEAP1NFE2L2L3MBTL1PKMCA2
SCHEMBL29482639 0.81 TRPV4 (0.68) TRPV4L3MBTL1GAACA2CA12
SCHEMBL1817972 0.81 TRPV4 (0.53) TRPV4L3MBTL1PKMSMN1; SMN2CA2
SCHEMBL1817970 0.81 PKM (0.55) TRPV4L3MBTL1PKMSMN1; SMN2
SCHEMBL74997 0.81 TRPV4 (0.68) TRPV4L3MBTL1GAACA2CA12
SCHEMBL27724224 0.81 KEAP1 (0.47) KEAP1NFE2L2L3MBTL1OPRD1PKM
SCHEMBL1817484 0.79 TRPV4 (0.47) TRPV4L3MBTL1PKMSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024243025-A1 NAPHTHYL-SUBSTITUTED PYRIDO[4,3-D]PYRIMIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS Ikena Oncology, Inc. (US) 2024-11-28 WO disclosed
EP-4061124-A1 TRPV4 RECEPTOR LIGANDS University of Utah Research Foundation (US) 2022-09-28 EP disclosed