SCHEMBL13618544

SCHEMBL13618544

CC(C)(C)c1cc(-c2coc(C(C)(I)I)n2)no1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RET P07949 2/20 0.34
BRD4 O60885 1/20 0.34
EGFR P00533 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10146065 0.89 MEN1 (0.49) MEN1KMT2ARETBRD4EGFR
SCHEMBL10177216 0.75 MEN1 (0.45) MEN1KMT2ARETBRD4EGFR
SCHEMBL350606 0.72 CNR2 (0.49) MEN1KMT2ABRD4NPC1RAB9A
SCHEMBL10147480 0.72 MEN1 (0.37) MEN1KMT2ABRD4HTT
SCHEMBL13618718 0.72 BRD4 (0.51) MEN1KMT2ARETBRD4EGFR
SCHEMBL10147809 0.70 CNR2 (0.43) MEN1KMT2ABRD4NPC1RAB9A
SCHEMBL13618564 0.65 MEN1 (0.44) MEN1KMT2ARETBRD4EGFR
SCHEMBL10243416 0.65 MEN1 (0.56) MEN1KMT2ARETBRD4EGFR
SCHEMBL799923 0.62 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL10146103 0.62 BRD4 (0.55) MEN1KMT2ARETBRD4EGFR

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-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed