SCHEMBL24876323

SCHEMBL24876323

O=c1[nH]c2cc(C3CC3)c([S+]([O-])Nc3ccc(OC(F)(F)F)cc3)cc2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ HTR2C P28335 2/20 0.35
▸ EPHX1 P07099 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ PDE2A O00408 8/20 0.35
▸ EPHX2 P34913 3/20 0.34
▸ FAAH O00519 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ DHODH Q02127 1/20 0.33

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
SCHEMBL24876688 0.82 FFAR4 (0.41) MAPTEPHX2TRPV1
SCHEMBL24876183 0.79 MEN1 (0.38) MAPTHTR2CEPHX1CCNA2CDK2
SCHEMBL24875938 0.76 MAPT (0.39) MAPTEPHX1CCNA2CDK2CCNA1
SCHEMBL24876322 0.76 MAPT (0.49) MAPT
SCHEMBL24876238 0.67 PKM (0.34) —
SCHEMBL462640 0.65 MAPT (0.54) MAPTTRPV1
SCHEMBL31679994 0.64 MAPT (0.47) MAPT
SCHEMBL23697541 0.62 MAPT (0.49) MAPTEPHX2FAAHTRPV1
SCHEMBL24875965 0.61 MAPT (0.53) MAPT
SCHEMBL24876376 0.61 MAPT (0.53) MAPT

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-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 — — WO disclosed
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