SCHEMBL25027489

SCHEMBL25027489

Cc1ncc2[nH]c(=O)n(-c3ccc(Oc4ccc(C)c(OC(F)(F)F)c4)nc3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD1 P21728 3/20 0.34
SCN9A Q15858 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
BCAT2 O15382 4/20 0.32
BCAT1 P54687 4/20 0.32
MMP13 P45452 3/20 0.32
MAP3K11 Q16584 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CRHR1 P34998 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL30793990 1.00 POLB (0.37) POLBL3MBTL1DRD1SCN9ASCN10A
SCHEMBL23927021 0.88 POLB (0.35) POLBL3MBTL1DRD1SCN9ASCN10A
SCHEMBL25027695 0.87 LIPE (0.38) POLBL3MBTL1SCN9ASCN10ASCN7A
SCHEMBL30193643 0.87 LIPE (0.38) POLBL3MBTL1SCN9ASCN10ASCN7A
SCHEMBL25025657 0.86 DRD1 (0.41) POLBL3MBTL1DRD1BCAT2BCAT1
SCHEMBL30794092 0.86 DRD1 (0.41) POLBL3MBTL1DRD1BCAT2BCAT1
SCHEMBL23927076 0.82 TNKS (0.36) POLBL3MBTL1DRD1SCN9ASCN10A
SCHEMBL15547373 0.82 L3MBTL1 (0.58) POLBL3MBTL1DRD1SCN9ASCN10A
SCHEMBL25027486 0.79 ALDH1A1 (0.45) MAP3K11CYP3A4CYP2C9
SCHEMBL30794004 0.79 ALDH1A1 (0.45) MAP3K11CYP3A4CYP2C9

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
CN-117751119-A Potassium channel modulators 奥蒂福尼疗法有限公司 2024-03-22 CN claimed
CN-117751119-A Potassium channel modulators 奥蒂福尼疗法有限公司 2024-03-22 CN disclosed
WO-2023017263-A1 POTASSIUM CHANNEL MODULATORS AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-16 WO disclosed