SCHEMBL28455212

SCHEMBL28455212

CCOS(=O)(=O)c1ccc(C)cc1OCCOc1ccc(C)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ S1PR4 O95977 2/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PDIA6 Q15084 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL28454326 0.86 LMNA (0.38) MAPTKMT2AALDH1A1LMNAS1PR4
SCHEMBL21219198 0.81 ALDH1A1 (0.41) MAPTKMT2AALDH1A1LMNAS1PR4
SCHEMBL4420431 0.81 L3MBTL1 (0.42) MAPTKMT2AALDH1A1LMNAS1PR4
SCHEMBL28541140 0.80 ALDH1A1 (0.43) MAPTKMT2AALDH1A1LMNAMAPK1
SCHEMBL28559501 0.79 ALDH1A1 (0.41) MAPTKMT2AALDH1A1LMNAMAPK1
SCHEMBL21815478 0.79 MEN1 (0.47) MAPTKMT2AALDH1A1LMNAMAPK1
SCHEMBL28380826 0.78 TSHR (0.39) MAPTKMT2AALDH1A1S1PR4MAPK1
SCHEMBL28354485 0.78 TSHR (0.39) MAPTKMT2AALDH1A1LMNAMAPK1
SCHEMBL27208962 0.78 MAPT (0.40) MAPTKMT2AALDH1A1S1PR4MAPK1
SCHEMBL3889830 0.78 ALDH1A1 (0.44) MAPTKMT2AALDH1A1LMNAMAPK1

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-107406419-B PET imaging agent 诺华股份有限公司 2020-09-11 — — CN disclosed
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