SCHEMBL30006227

SCHEMBL30006227

FC(F)(F)c1ccc(Oc2ccc(-c3ncon3)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LIPE Q05469 5/20 0.49
THRB P10828 1/20 0.49
SCN9A Q15858 8/20 0.48
RAB9A P51151 1/20 0.47
BCHE P06276 1/20 0.46
MAPK1 P28482 1/20 0.45
FPR2 P25090 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
SCHEMBL11351938 0.81 MAPT (0.69) LMNAMAPTNPSR1LIPETHRB
SCHEMBL493936 0.80 KIF11 (0.45) LMNATHRB
SCHEMBL6983743 0.77 MAPT (0.55) LMNAMAPTNPSR1THRBSCN9A
SCHEMBL30689322 0.76 LMNA (0.47) LMNAMAPTNPSR1THRBSCN9A
SCHEMBL8576331 0.74 MAPT (0.65) LMNAMAPTNPSR1LIPETHRB
SCHEMBL4728325 0.74 KDM4E (0.62) LMNAMAPTNPSR1LIPETHRB
SCHEMBL906222 0.74 LMNA (0.63) LMNAMAPTNPSR1LIPETHRB
SCHEMBL21652204 0.74 RAB9A (0.67) LMNAMAPTNPSR1LIPETHRB
SCHEMBL11383589 0.74 LIPE (0.65) LMNAMAPTNPSR1LIPETHRB
SCHEMBL9272113 0.74 THRB (0.76) LMNAMAPTNPSR1LIPETHRB

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
EP-4323062-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H Novartis AG (CH) 2024-02-21 EP disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 WO disclosed