SCHEMBL29896764

SCHEMBL29896764

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PPOX P50336 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL28856556 1.00 ALDH1A1 (0.36) ALDH1A1MAPTPTGDR2KDM4ENPSR1
SCHEMBL28856550 0.90 SMN1; SMN2 (0.37) ALDH1A1MAPTNPSR1ATMGAA
SCHEMBL29896802 0.90 SMN1; SMN2 (0.37) ALDH1A1MAPTNPSR1ATMGAA
SCHEMBL29896755 0.90 AAK1 (0.39) NMT1PPOXMEN1KMT2APPARA
SCHEMBL28856498 0.90 AAK1 (0.39) NMT1PPOXMEN1KMT2APPARA
SCHEMBL28856515 0.88 SLC22A12 (0.43) ALDH1A1PTGDR2SLC22A12TP53
SCHEMBL29896717 0.88 SLC22A12 (0.36) ATMSLC22A12PPOXPPARA
SCHEMBL28856494 0.88 SLC22A12 (0.36) ATMSLC22A12PPOXPPARA
SCHEMBL28856510 0.86 PPARA (0.43) PTGDR2SLC22A12HTR1AADRA1DADRA1A
SCHEMBL29896814 0.86 PPARA (0.43) PTGDR2SLC22A12HTR1AADRA1DADRA1A

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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