SCHEMBL27211971

SCHEMBL27211971

NS(=O)(=O)c1cccnc1CC1CCCCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
KMT2A Q03164 1/20 0.40
HTR6 P50406 3/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL784838 0.78 CA1 (0.44) KMT2ACA1CA2MAPK1CA9
SCHEMBL27211973 0.75 LTA4H (0.40) POLBHTR6HRH3DRD2LTA4H
Hydrochloric Acid SCHEMBL4740172 0.73 HTR6 (0.53) POLBKMT2AHTR6
SCHEMBL10153575 0.72 CHRNB2 (0.56) POLBCHRNB2CHRNA4HTR6CHRNB4
SCHEMBL5347275 0.71 POLB (0.50) POLBCHRNB2CHRNA4HTR6CHRNB4
SCHEMBL2852456 0.69 CA1 (0.53) KMT2ACA1CA2MAPK1CA9
SCHEMBL2109274 0.69 POLB (0.58) POLBCHRNB2CHRNA4HTR6HRH3
SCHEMBL25281271 0.68 POLB (0.57) POLBCHRNB2CHRNA4HRH3LTA4H
SCHEMBL3448835 0.68 CA2 (0.51) KMT2ACA1CA2MAPK1CA9
SCHEMBL27801396 0.67 CA2 (0.47) KMT2ACA1CA2MAPK1CA9

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
EP-4364804-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica NV (BE) 2024-05-08 EP disclosed