SCHEMBL31504411

SCHEMBL31504411

O=S(=O)(NCCC1CCCCC1)c1cccc(Nc2ccc(OCc3ccccc3)cc2C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ IDH2 P48735 1/20 0.38
▸ CTSV O60911 2/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CNR2 P34972 3/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ERBB2 P04626 1/20 0.36
▸ ERBB4 Q15303 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ APEX1 P27695 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
SCHEMBL21617275 1.00 AR (0.39) ARPGRIDH2CTSVCTSL
SCHEMBL21623424 0.83 MMP2 (0.38) CNR2SIRT2ALDH1A1ERBB2ERBB4
SCHEMBL21617216 0.81 CHRM4 (0.50) CTSVCTSL
SCHEMBL31504379 0.81 CHRM4 (0.50) CTSVCTSL
SCHEMBL31504422 0.80 HPGD (0.47) CTSVCTSLMEN1KMT2ASIRT2
SCHEMBL21617260 0.80 HPGD (0.47) CTSVCTSLMEN1KMT2ASIRT2
SCHEMBL21617199 0.76 RHOA (0.37) CNR2MEN1KMT2ASIRT2ALDH1A1
SCHEMBL31504453 0.76 RHOA (0.37) CNR2MEN1KMT2ASIRT2ALDH1A1
SCHEMBL21617261 0.74 HPGD (0.47) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL31504322 0.74 HPGD (0.47) CTSVCTSLMEN1KMT2AALDH1A1

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
EP-3820850-B1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2026-04-01 — — EP disclosed
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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