SCHEMBL31604507

SCHEMBL31604507

O=C(O)c1ccc2ccc(OS(=O)(=O)C(F)(F)F)cn12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.41
▸ CXCR1 P25024 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD5 P21918 1/20 0.32
▸ HTR1D P28221 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ BCL2L11 O43521 1/20 0.30
▸ BCL2L1 Q07817 1/20 0.30
▸ MCL1 Q07820 1/20 0.30

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
SCHEMBL21580842 0.72 ADORA1 (0.43) CXCR2HSD11B1
SCHEMBL21580845 0.71 CXCR2 (0.36) CXCR2CXCR1HSD11B1DRD2DRD3
SCHEMBL31604514 0.71 ALDH1A1 (0.40) CXCR2CXCR1HSD11B1CA1CA2
SCHEMBL576035 0.70 CA2 (0.50) CXCR2CXCR1HSD11B1CA1CA2
SCHEMBL840762 0.70 KMT2A (0.50) CXCR2CXCR1CA1CA2
SCHEMBL1992738 0.68 SCN5A (0.38) CXCR2CXCR1HSD11B1CA1CA2
SCHEMBL31604511 0.68 CA2 (0.38) CA1CA2DRD1
SCHEMBL3668194 0.66 STS (0.60) CXCR2CXCR1HSD11B1
SCHEMBL5565709 0.66 ALDH1A1 (0.51) CXCR2CXCR1HSD11B1CA1CA2
SCHEMBL6935157 0.65 CXCR2 (0.47) CXCR2CXCR1HSD11B1CA1CA2

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-2025111415-A1 TRPM3-MODULATING INDOLIZINE DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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