SCHEMBL24892176

SCHEMBL24892176

Cc1cc(CO)cc(OCC(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
NUDT1 P36639 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
CYP2C9 P11712 1/20 0.32
RECQL P46063 1/20 0.32
GRM5 P41594 1/20 0.32
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26478027 0.80 POLQ (0.38) THRBKMT2ANUDT1CYP1A2CYP2C19
SCHEMBL20606784 0.78 CYP1A2 (0.41) THRBKMT2ANUDT1CYP1A2CYP2C19
SCHEMBL15670001 0.77 NUDT1 (0.43) THRBKMT2ANUDT1CYP1A2CYP2C19
SCHEMBL1620417 0.75 ALDH1A1 (0.42) KMT2ACYP1A2KDM4ELMNATSHR
SCHEMBL31191369 0.73 RECQL (0.46) RECQL
SCHEMBL24891828 0.73 CYP1A2 (0.33) NUDT1CYP1A2CYP2C19HCRTR1HCRTR2
SCHEMBL2714554 0.73 SCN4A (0.38) CYP1A2CYP2C9LMNATSHR
SCHEMBL377724 0.72 ACHE (0.43) KMT2AABL1KDM4ELMNAMAPK1
SCHEMBL20356803 0.72 CYP1A2 (0.40) CYP1A2KDM4ELMNATSHRMAPK1
SCHEMBL20606882 0.72 ALDH1A1 (0.42) KMT2ACYP1A2CYP2C19CYP2C9LMNA

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
EP-4370519-A1 5,6,7,8-TETRAHYDRO-2,6- AND 2,7-NAPHTHYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES RESPONSIVE TO CITRATE TRANSPORTER MODULATION Eternygen UK Ltd. (GB) 2024-05-22 EP disclosed
WO-2023285583-A1 5,6,7,8-TETRAHYDRO-2,6- AND 2,7-NAPHTHYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES RESPONSIVE TO CITRATE TRANSPORTER MODULATION ETERNYGEN UK LTD. (GB) 2023-01-19 WO disclosed
WO-2023285583-A1 5,6,7,8-TETRAHYDRO-2,6- AND 2,7-NAPHTHYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES RESPONSIVE TO CITRATE TRANSPORTER MODULATION ETERNYGEN UK LTD. (GB) 2023-01-19 WO disclosed