SCHEMBL28811304

SCHEMBL28811304

Nc1cc(Oc2cc(F)cc(F)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.53
NOS2 P35228 4/20 0.53
NOS1 P29475 3/20 0.53
MET P08581 4/20 0.44
FEN1 P39748 3/20 0.42
ALOX5AP P20292 2/20 0.42
SCN9A Q15858 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
MAPK14 Q16539 1/20 0.39
DYRK1A Q13627 1/20 0.39
BRAF P15056 2/20 0.38
NTRK1 P04629 1/20 0.36
NTRK3 Q16288 1/20 0.36
NTRK2 Q16620 1/20 0.36
VEGFA P15692 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35

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
SCHEMBL13635718 0.86 NOS3 (0.50) NOS3NOS2NOS1METFEN1
SCHEMBL4648395 0.84 NOS3 (0.52) NOS3NOS2NOS1METFEN1
SCHEMBL28811368 0.83 NOS3 (0.47) NOS3NOS2NOS1METFEN1
SCHEMBL29854857 0.83 NOS3 (0.47) NOS3NOS2NOS1METFEN1
SCHEMBL28811293 0.80 NOS3 (0.52) NOS3NOS2NOS1METFEN1
SCHEMBL29860750 0.80 NOS3 (0.52) NOS3NOS2NOS1METFEN1
SCHEMBL1137172 0.79 NOS3 (0.50) NOS3NOS2NOS1METFEN1
SCHEMBL28810836 0.77 NOS3 (0.49) NOS3NOS2NOS1METFEN1
SCHEMBL1890586 0.77 NOS3 (0.57) NOS3NOS2NOS1SCN9AMEN1
SCHEMBL29788816 0.77 NOS3 (0.57) NOS3NOS2NOS1SCN9AMEN1

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-114901280-B MrgprX2 antagonists and uses thereof 德米拉公司 2025-05-27 CN disclosed
EP-4054570-A1 MRGPRX2 ANTAGONISTS AND USES THEREOF Dermira, Inc (US) 2022-09-14 EP disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed