SCHEMBL31554575

SCHEMBL31554575

Cc1ccc(S(=O)(=O)n2cc(Oc3ccc([N+](=O)[O-])cc3F)c3cc(F)cnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.41
S1PR4 O95977 1/20 0.38
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CXCR5 P32302 1/20 0.36
APLNR P35414 1/20 0.36
RAB9A P51151 1/20 0.36
CCR6 P51684 1/20 0.36
GFER P55789 1/20 0.36
LMNA P02545 2/20 0.36
BRD4 O60885 3/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TBXA2R P21731 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL31554424 0.86 HTR6 (0.38) KMT2ABRD4SCN9AMAPT
SCHEMBL29200248 0.76 PTPN11 (0.39) KMT2ALMNABRD4L3MBTL1MAPT
SCHEMBL1772133 0.75 MAPT (0.47) KMT2AHSP90AA1CXCR5APLNRRAB9A
SCHEMBL28547117 0.75 PTPN11 (0.39) KMT2ALMNABRD4L3MBTL1MAPT
SCHEMBL9967579 0.75 PTPN11 (0.42) LMNABRD4L3MBTL1HTT
SCHEMBL21876730 0.73 MEN1 (0.34) KMT2ARAB9ALMNABRD4ALDH1A1
SCHEMBL16884156 0.73 PTPN11 (0.41) LMNABRD4L3MBTL1MAPTHTT
SCHEMBL20846089 0.73 BRD4 (0.51) KMT2ALMNABRD4L3MBTL1HTT
SCHEMBL14685251 0.73 CA1 (0.46) LMNABRD4L3MBTL1HTT
SCHEMBL29604791 0.73 CA1 (0.46) LMNABRD4L3MBTL1HTT

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-2025096463-A1 PLK4 MODULATORS VIBLIOME THERAPEUTICS, LLC (US) 2025-05-08 WO disclosed