SCHEMBL30726466

SCHEMBL30726466

FC(F)(F)c1ccc2nc(-c3cccc(I)c3)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.72
DGAT1 O75907 7/20 0.69
KCNH2 Q12809 6/20 0.69
SOAT1 P35610 3/20 0.56
CBFB Q13951 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL27040116 1.00 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL529750 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL20445295 0.84 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL27040128 0.84 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL31593060 0.84 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL30726446 0.84 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL27040014 0.84 NPBWR1 (0.72) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL4184260 0.82 DGAT1 (1.00) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL24295023 0.79 PRMT1 (0.54) NPBWR1CYP3A4MEN1USP2POLB
SCHEMBL30726440 0.79 RAB9A (0.75) NPBWR1DGAT1KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed