SCHEMBL31172085

SCHEMBL31172085

C[C@H](COCc1cc([N+](=O)[O-])c2cn(C)nc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PPARA Q07869 3/20 0.36
▸ PPARG P37231 2/20 0.35
▸ CTSS P25774 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ BCL2 P10415 5/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ PTPN2 P17706 2/20 0.32
▸ PTPN1 P18031 2/20 0.32
▸ CDC25A P30304 2/20 0.32
▸ CDC25B P30305 2/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GNRHR P30968 1/20 0.31

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
SCHEMBL28687446 1.00 ALDH1A1 (0.42) ALDH1A1POLBMAPTPPARAPPARG
SCHEMBL22425985 0.86 PPARA (0.37) PPARAPPARGCTSSJAK2PTPN2
SCHEMBL22411784 0.86 PPARA (0.37) PPARAPPARGCTSSJAK2PTPN2
SCHEMBL28665586 0.83 PPARA (0.35) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL29684374 0.83 PPARA (0.35) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL28687444 0.82 ALDH1A1 (0.43) ALDH1A1POLBMAPTL3MBTL1
SCHEMBL22411916 0.78 PPARA (0.37) ALDH1A1PPARAPPARGCTSSGSTP1
SCHEMBL22411915 0.78 PPARA (0.37) ALDH1A1PPARAPPARGCTSSGSTP1
SCHEMBL22412052 0.78 MAPT (0.46) ALDH1A1POLBMAPTL3MBTL1
SCHEMBL22412054 0.78 MAPT (0.46) ALDH1A1POLBMAPTL3MBTL1

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-113811534-B TYK2 inhibitors and uses thereof 阿鲁米斯公司 2024-10-29 — — CN disclosed
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