SCHEMBL28856485

SCHEMBL28856485

CCOC(=O)C1CC1Sc1ccc(-c2ccnc3ccc(Br)cc23)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ RXFP1 Q9HBX9 6/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ PRNP P04156 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32

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
SCHEMBL28856483 0.94 SMN1; SMN2 (0.34) SLC22A12SMN1; SMN2ALDH1A1MAPK1RXFP1
SCHEMBL28954999 0.91 SLC22A12 (0.34) SLC22A12SMN1; SMN2ALDH1A1MAPK1RXFP1
SCHEMBL28856503 0.87 MAPK1 (0.34) SLC22A12SMN1; SMN2ALDH1A1MAPK1RXFP1
SCHEMBL28856565 0.86 SLC22A12 (0.41) SLC22A12SMN1; SMN2ALDH1A1RXFP1MEN1
SCHEMBL28856557 0.85 SLC22A12 (0.34) SLC22A12SMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL28856484 0.83 MAPT (0.40) TP53GAANPSR1MAPTKDM4E
SCHEMBL28856533 0.82 SLC22A12 (0.36) SLC22A12ALDH1A1KDM4EHPGD
SCHEMBL28856501 0.82 SLC22A12 (0.35) SLC22A12SMN1; SMN2ALDH1A1MAPK1RXFP1
SCHEMBL28856490 0.81 SLC22A12 (0.40) SLC22A12SMN1; SMN2RXFP1MEN1KMT2A
SCHEMBL28856505 0.81 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A

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
CN-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
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