SCHEMBL13618564

SCHEMBL13618564

CC(C)(C)c1cc(-c2nnc(C(C)(I)I)s2)no1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 1/20 0.36
RET P07949 2/20 0.32
EGFR P00533 1/20 0.31

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
SCHEMBL10146120 0.89 MEN1 (0.47) MEN1KMT2ABRD4RETEGFR
SCHEMBL10147474 0.74 ALDH1A1 (0.32)
SCHEMBL352495 0.73 CNR1 (0.38) MEN1KMT2ABRD4
SCHEMBL13618718 0.68 BRD4 (0.51) MEN1KMT2ABRD4RETEGFR
SCHEMBL10147473 0.66 CNR2 (0.31)
SCHEMBL13618544 0.65 MEN1 (0.45) MEN1KMT2ABRD4RETEGFR
SCHEMBL799923 0.61 MEN1 (1.00) MEN1KMT2A
SCHEMBL10146122 0.61 ALDH1A1 (0.34) MEN1KMT2A
SCHEMBL10146103 0.61 BRD4 (0.55) MEN1KMT2ABRD4RETEGFR
SCHEMBL14906434 0.61 MEN1 (0.47) MEN1KMT2AEGFR

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