SCHEMBL26826115

SCHEMBL26826115

N[C@H](CC=O)CSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.53
▸ MAOB P27338 1/20 0.53
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ MMP2 P08253 3/20 0.35
▸ MMP3 P08254 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL10402868 0.81 MAOA (0.57) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL3441777 0.76 MAOA (0.61) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL3614462 0.75 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL3614466 0.75 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL28498239 0.75 MAOA (0.59) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL24688181 0.75 MAOA (0.64) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL1539929 0.75 MAOA (0.64) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL25274884 0.74 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL25236742 0.74 MAOA (0.53) MAOAMAOBMTNR1AMTNR1BALDH1A1
SCHEMBL7529147 0.73 MAOA (0.68) MAOAMAOBMTNR1AMTNR1BALDH1A1

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-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
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