SCHEMBL31007140

SCHEMBL31007140

Nc1nccc(Oc2c(F)cc([N+](=O)[O-])cc2F)c1I

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 6/20 0.36
KDR P35968 4/20 0.36
ALDH1A1 P00352 1/20 0.34
S1PR4 O95977 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1137074 0.86 HSPB1 (0.49) HSPB1MAPTMETKDRALDH1A1
SCHEMBL30495857 0.86 HSPB1 (0.49) HSPB1MAPTMETKDRALDH1A1
SCHEMBL31007081 0.82 MET (0.39) METKDR
SCHEMBL1894149 0.79 ALDH1A1 (0.46) HSPB1MAPTKDRALDH1A1HTT
SCHEMBL2591029 0.79 MET (0.39) HSPB1MAPTSMN1; SMN2METKDR
SCHEMBL4465460 0.76 MAPT (0.45) HSPB1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL20659698 0.75 ROCK2 (0.43) MET
SCHEMBL29992379 0.72 MAP4K1 (0.48) MET
SCHEMBL20588567 0.72 MAP4K1 (0.48) MET
SCHEMBL25278510 0.72 PDGFRA (0.57) METKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134517-A1 NOVEL COMPOUND AS RON INHIBITOR 주식회사 엘지화학 2024-06-27 WO disclosed