SCHEMBL30825150

SCHEMBL30825150

CN1CCN(c2ccc(OC(F)(F)F)c(Br)c2)CC1CS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CHRM2 P08172 5/20 0.34
▸ CHRM1 P11229 5/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ UTS2R Q9UKP6 2/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ NR1H2 P55055 4/20 0.33
▸ NR1H3 Q13133 4/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 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
SCHEMBL29226259 0.86 CHRM4 (0.37) CHRM4EPHX2MGLLCHRM2CHRM1
SCHEMBL30825164 0.86 CHRM4 (0.37) CHRM4EPHX2MGLLCHRM2CHRM1
SCHEMBL29226246 0.81 CHRM4 (0.39) CHRM4EPHX2MGLLCHRM2CHRM1
SCHEMBL30900290 0.81 CHRM4 (0.39) CHRM4EPHX2MGLLCHRM2CHRM1
SCHEMBL29226321 0.79 NR1H2 (0.35) CHRM4EPHX2MGLLCHRM2CHRM1
SCHEMBL29226215 0.73 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL29226658 0.73 CHRM4 (0.37) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL30900418 0.73 CHRM4 (0.37) CHRM4CHRM2CHRM1CHRM3CHRM5
SCHEMBL30900288 0.72 MEN1 (0.41) MAPTSMN1; SMN2
SCHEMBL29226248 0.72 MEN1 (0.41) MAPTSMN1; SMN2

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-2024051717-A1 COMPOUND AS PLK1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海深势唯思科技有限责任公司 2024-03-14 — — WO disclosed
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