SCHEMBL24776173

SCHEMBL24776173

O=C(OCC(F)(F)S(=O)(=O)O)c1cc(I)ccc1I

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ MAP2K2 P36507 1/20 0.30
▸ MAP2K1 Q02750 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL24776177 0.88 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23065534 0.83 HDAC3 (0.33) —
SCHEMBL24776171 0.83 PTPN2 (0.39) KDM4ETSHRNPSR1TDP1L3MBTL1
SCHEMBL22876790 0.82 TTR (0.34) —
SCHEMBL18785641 0.80 MAPK1 (0.41) —
SCHEMBL24776175 0.78 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24776170 0.78 MAPK1 (0.41) NPSR1TDP1L3MBTL1
SCHEMBL19846344 0.77 NPSR1 (0.31) KDM4ETSHRNPSR1TDP1L3MBTL1
SCHEMBL29346576 0.77 — —
SCHEMBL24776172 0.77 ESR1 (0.40) KDM4E

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-2022265034-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, METHOD FOR PRODUCING COMPOUNDS, INTERMEDIATE, AND COMPOUNDS 東京応化工業株式会社 2022-12-22 — — WO disclosed
Send feedback