SCHEMBL28705000

SCHEMBL28705000

CCSc1cc(O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.39
▸ MIF P14174 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ KCNQ4 P56696 3/20 0.37
▸ KCNQ5 Q9NR82 3/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP17A1 P05093 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL28707102 0.85 MIF (0.40) NQO2MIFRXFP1ALDH1A1KCNQ4
SCHEMBL24253781 0.80 NQO2 (0.45) NQO2MIFRXFP1KCNQ4KCNQ5
SCHEMBL29618957 0.79 HPGD (0.47) NQO2MIFRXFP1KCNQ4KCNQ5
SCHEMBL24362149 0.79 HPGD (0.47) NQO2MIFRXFP1KCNQ4KCNQ5
SCHEMBL29958958 0.77 SMN1; SMN2 (0.47) NQO2MIFRXFP1ALDH1A1GLA
SCHEMBL2770751 0.77 SMN1; SMN2 (0.47) NQO2MIFRXFP1ALDH1A1GLA
SCHEMBL1767849 0.76 KMT2A (0.52) MIFRXFP1ALDH1A1LMNA
SCHEMBL2363945 0.76 CYP17A1 (0.53) NQO2MIFRXFP1KCNQ4KCNQ5
SCHEMBL31619048 0.76 KMT2A (0.52) MIFRXFP1ALDH1A1LMNA
SCHEMBL29834708 0.76 CYP17A1 (0.53) NQO2MIFRXFP1KCNQ4KCNQ5

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-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 — — CN disclosed
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