SCHEMBL3977539

SCHEMBL3977539

CCOC(=O)C1=CNC=CC=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 3/20 0.36
LMNA P02545 3/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7019184 0.87 ALDH1A1 (0.42) TSHRKMT2AALDH1A1KDM4EMAPT
SCHEMBL6021710 0.80 KDM4E (0.33) TSHRKMT2AALDH1A1KDM4EMAPT
SCHEMBL5552082 0.76 TSHR (0.39) TSHRKMT2AALDH1A1KDM4EMAPT
SCHEMBL5557019 0.75 CYP1A2 (0.39) TSHRKMT2AALDH1A1KDM4EMAPT
SCHEMBL30401460 0.74
SCHEMBL5282811 0.71 CA1 (0.43) TSHRKMT2AALDH1A1KDM4EMAPT
SCHEMBL193861 0.71
SCHEMBL27969703 0.70
SCHEMBL6144311 0.70 L3MBTL1 (0.38) TSHRKMT2AALDH1A1KDM4EMAPT
Benzene SCHEMBL28096982 0.70

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751200-A Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-09-15 CN disclosed
CN-110114071-B Tricyclic compounds containing substituted pyridones and methods of using the same 爱彼特生物制药公司 2023-07-04 CN disclosed
CN-105101967-B As thrombocytin 5-HT2CThe benzazepines of receptors ligand and its application 雅培控股公司 2019-06-28 CN disclosed
EP-2054417-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB Pharma S.A. (BE) 2009-05-06 EP disclosed
WO-2008020206-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2008-02-21 WO disclosed