SCHEMBL27457780

SCHEMBL27457780

O=C(O)c1nccc(N2CCC(F)(F)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.45
▸ SORD Q00796 4/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ KMO O15229 4/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ GSK3A P49840 3/20 0.39
▸ GSK3B P49841 3/20 0.39
▸ ACACB O00763 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ TRPV3 Q8NET8 1/20 0.37

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
SCHEMBL27457779 0.83 ROCK2 (0.44) PTGER4SORDROCK2HRH3GSK3A
SCHEMBL21880062 0.83 KMO (0.53) SORDKMOHRH3HRH4PIK3CA
SCHEMBL31705707 0.80 SORD (0.42) PTGER4SORDKMOHRH3HRH4
SCHEMBL27457591 0.77 GBA1 (0.47) PTGER4
SCHEMBL22122190 0.77 PIK3CA (0.65) PTGER4GSK3BPIK3CA
SCHEMBL31705670 0.76 MAP4K4 (0.52) SORD
SCHEMBL30954009 0.75 TRPV1 (0.47) SORDHRH3HRH4
SCHEMBL30693986 0.75 HRH3 (0.43) PTGER4SORDROCK2HRH3ACACB
SCHEMBL30954035 0.75 HRH3 (0.66) SORDROCK2HRH3GSK3AGSK3B
SCHEMBL26618088 0.75 TRPV1 (0.47) SORDHRH3HRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
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