SCHEMBL28856540

SCHEMBL28856540

CCOC(=O)C1CCC1Sc1sccc1-c1ccnc2ccc(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.34
▸ SLC22A12 Q96S37 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RXFP1 Q9HBX9 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CA1 P00915 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
SCHEMBL28856501 0.94 SLC22A12 (0.35) ALDH1A1SLC22A12SMN1; SMN2MAPK1MEN1
SCHEMBL28856483 0.82 SMN1; SMN2 (0.34) ALDH1A1SLC22A12SMN1; SMN2MAPK1MEN1
SCHEMBL28954999 0.78 SLC22A12 (0.34) ALDH1A1SLC22A12SMN1; SMN2MAPK1MEN1
SCHEMBL28856514 0.77 ALDH1A1 (0.37) ALDH1A1SLC22A12SMN1; SMN2MAPK1MAPT
SCHEMBL29896737 0.77 ALDH1A1 (0.37) ALDH1A1SLC22A12SMN1; SMN2MAPK1MAPT
SCHEMBL28856485 0.76 SLC22A12 (0.35) ALDH1A1SLC22A12SMN1; SMN2MAPK1MEN1
SCHEMBL28856554 0.76 SLC18A2 (0.35) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL28856503 0.75 MAPK1 (0.34) ALDH1A1SLC22A12SMN1; SMN2MAPK1MEN1
SCHEMBL28856557 0.74 SLC22A12 (0.34) ALDH1A1SLC22A12SMN1; SMN2MAPK1MEN1
SCHEMBL28856484 0.72 MAPT (0.40) KDM4EMAPTGAANPSR1CCNT1

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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