SCHEMBL22899009

SCHEMBL22899009

CC(=O)C(C)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.51
CYP17A1 P05093 4/20 0.51
TBXAS1 P24557 2/20 0.50
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL575045 0.89 AKR1C3 (0.57) CYP19A1CYP17A1TBXAS1SMN1; SMN2CFTR
SCHEMBL6259017 0.89 AKR1C3 (0.57) CYP19A1CYP17A1TBXAS1SMN1; SMN2CFTR
SCHEMBL27446830 0.87 AKR1C3 (0.56) CYP19A1CYP17A1TBXAS1SMN1; SMN2CFTR
Hydrochloric Acid SCHEMBL4076278 0.87 AKR1C3 (0.56) CYP19A1CYP17A1TBXAS1SMN1; SMN2CFTR
SCHEMBL27492286 0.86 CYP19A1 (0.52) CYP19A1CYP17A1TBXAS1POLBSMN1; SMN2
SCHEMBL17233924 0.83 CYP17A1 (0.50) CYP19A1CYP17A1TBXAS1POLBSMN1; SMN2
SCHEMBL17233832 0.83 CYP17A1 (0.50) CYP19A1CYP17A1TBXAS1POLBSMN1; SMN2
SCHEMBL4418464 0.83 CYP19A1 (0.54) CYP19A1CYP17A1TBXAS1POLBSMN1; SMN2
SCHEMBL30159419 0.83 CYP17A1 (0.50) CYP19A1CYP17A1TBXAS1POLBSMN1; SMN2
SCHEMBL83185 0.83 CYP17A1 (0.50) CYP19A1CYP17A1TBXAS1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011876-A2 MODULATORS OF EXCITATORY AMINO ACID TRANSPORTERS AND METHODS USING SAME THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2021-01-21 WO disclosed
CN-101255171-A Intermediates of 2-substituted carbapenem derivatives and process for production thereof MEIJI SEIKA KAISHA (JP) 2008-09-03 CN disclosed
CN-1747957-A 2-substituted carbapenem derivative intermediate and process for producing the same MEIJI SEIKA KAISHA (JP) 2006-03-15 CN disclosed