SCHEMBL31662294

SCHEMBL31662294

Cn1ncc2cc(C(=O)O)cc(Oc3ccc(O)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 4/20 0.39
SCN9A Q15858 4/20 0.37
TTR P02766 2/20 0.37
KDM4E B2RXH2 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
PKM P14618 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPBWR1 P48145 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
SCHEMBL31662580 0.89 PARP10 (0.46) SCN9AKMT2A
SCHEMBL31662519 0.88 CA12 (0.41) SCN9AKDM4ECA12CA1CA2
SCHEMBL31662290 0.77 USP2 (0.39) SCN9AKDM4EKMT2ANPBWR1
SCHEMBL31662578 0.77 CD38 (0.37) HAO1SCN9AKDM4EEGLN1MEN1
SCHEMBL31662262 0.76 LMNA (0.46) MEN1KMT2A
SCHEMBL31662417 0.75 SCN9A (0.41) SCN9A
SCHEMBL31662404 0.74 SCN9A (0.40) SCN9AKDM4ECA12CA1CA2
SCHEMBL31662377 0.74 SCN9A (0.43) SCN9A
SCHEMBL31662347 0.74 LMNA (0.38) SCN9AKDM4ECA12CA1CA2
SCHEMBL17277747 0.71 TTR (0.43) TTREGLN1MEN1KMT2A

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed