SCHEMBL24314229

SCHEMBL24314229

CCOc1ccc(Oc2ccccc2)cc1[S+]([O-])NC(=O)c1cc2c(F)cc(C3CC3)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCR5 P51681 2/20 0.33
BRD4 O60885 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PPARG P37231 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
DHODH Q02127 1/20 0.32
TRPC6 Q9Y210 2/20 0.32
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL24313754 0.89 MEN1 (0.36) MEN1KMT2ACCR5MAPTNPSR1
SCHEMBL24314310 0.88 SSTR5 (0.34) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL24314235 0.88 KCNH2 (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL24313761 0.85 MEN1 (0.32) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL24313977 0.85 CYP1A2 (0.37) MEN1KMT2AALDH1A1KDM4E
SCHEMBL24313682 0.85 ALDH1A1 (0.34) MEN1KMT2ACCR5MAPTNPSR1
SCHEMBL24314303 0.84 MEN1 (0.35) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL24313660 0.83 KCNH2 (0.35) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL24313966 0.82 UGCG (0.35) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL24314298 0.81 MEN1 (0.33) MEN1KMT2AMAPTNPSR1ALDH1A1

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed