SCHEMBL31082872

SCHEMBL31082872

CCOC(=O)c1ccnnc1/C=C/N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ NUDT1 P36639 1/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAOB P27338 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
SCHEMBL26081242 0.79 HTT (0.41) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL3598344 0.75 TSHR (0.53) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL26645844 0.74 KDM4E (0.52) TSHRALDH1A1HSD17B10KMT2AMEN1
SCHEMBL21224540 0.73 TSHR (0.41) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL29421611 0.73 TSHR (0.41) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL5767934 0.73 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL160323 0.73 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL31316179 0.73 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL4763799 0.73 TSHR (0.52) TSHRNUDT1ALDH1A1HSD17B10CASP1
SCHEMBL12279519 0.73 CSNK1D (0.45) TSHRALDH1A1HSD17B10SMN1; SMN2KMT2A

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-2024182788-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 — — WO disclosed
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