SCHEMBL24776177

SCHEMBL24776177

O=C(OCC(F)(F)S(=O)(=O)O)c1cc(I)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

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 4/20 0.34
▸ MAP2K1 Q02750 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL24776173 0.88 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23559309 0.81 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18786037 0.80 CES2 (0.44) TSHRKDM4ENPSR1TDP1L3MBTL1
SCHEMBL18785880 0.80 ADRB2 (0.46) TSHRKDM4ENPSR1TDP1L3MBTL1
SCHEMBL23065534 0.80 HDAC3 (0.33) —
SCHEMBL18785641 0.79 MAPK1 (0.41) PTPN1MAPK1HPGD
SCHEMBL22876790 0.78 TTR (0.34) —
SCHEMBL18785867 0.78 RAB9A (0.47) TSHRKDM4ENPSR1TDP1L3MBTL1
SCHEMBL19756075 0.78 MAPK1 (0.35) MAP2K2MAP2K1TSHRPTPN1RXFP1
SCHEMBL18785868 0.77 TDP1 (0.34) TSHRKDM4ENPSR1TDP1L3MBTL1

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
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