SCHEMBL28856550

SCHEMBL28856550

CCOC(=O)C(C)(C)Sc1ccc(-c2ccnc3ccc(Br)cc23)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PPOX P50336 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RXFP1 Q9HBX9 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ PRNP P04156 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SLC22A12 Q96S37 4/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ ATM Q13315 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 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
SCHEMBL29896802 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1PPOXMAPK1RXFP1
SCHEMBL28856545 0.92 PPOX (0.37) SMN1; SMN2ALDH1A1PPOXMAPK1RXFP1
SCHEMBL29896764 0.90 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1PPOXMAPK1MEN1
SCHEMBL28856556 0.90 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1PPOXMAPK1MEN1
SCHEMBL29896755 0.89 AAK1 (0.39) PPOXMEN1KMT2APPARA
SCHEMBL28856498 0.89 AAK1 (0.39) PPOXMEN1KMT2APPARA
SCHEMBL28856515 0.86 SLC22A12 (0.43) ALDH1A1TP53PRNPSLC22A12
SCHEMBL29896717 0.86 SLC22A12 (0.36) PPOXSLC22A12PPARAATM
SCHEMBL29896812 0.86 PPARA (0.48) SMN1; SMN2RXFP1MEN1KMT2ATP53
SCHEMBL28856532 0.86 PPARA (0.48) SMN1; SMN2RXFP1MEN1KMT2ATP53

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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