SCHEMBL20646201

SCHEMBL20646201

COc1cc(NC(=O)C(F)(F)F)ccc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 1/20 0.77
GRM4 Q14833 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
NPY5R Q15761 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
SCHEMBL4440336 0.87 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL9447193 0.86 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19GRM4L3MBTL1
SCHEMBL26231861 0.84 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19L3MBTL1HDAC1
SCHEMBL14720795 0.83 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19GRM4L3MBTL1
SCHEMBL19411114 0.83 CYP1A2 (0.75) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL11536864 0.82 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL21167297 0.82 CYP1A2 (0.73) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL12386255 0.82 GRM4 (0.60) GRM4HDAC1SMN1; SMN2GAAIMPDH2
SCHEMBL23088434 0.81 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL29792811 0.81 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087475-A1 REVERSE TRANSCRIPTION OF POLYNUCLEOTIDES COMPRISING UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-04-28 WO disclosed
WO-2021067313-A1 EUKARYOTIC SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-04-08 WO disclosed
WO-2020252262-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-17 WO disclosed
WO-2019014262-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS OF USE IN VIVO THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-17 WO disclosed