SCHEMBL3467484

SCHEMBL3467484

O=C1Nc2ccc(I)cc2[C@]12OCCC(CC1CC1)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.34
EPHX2 P34913 1/20 0.31
BRD4 O60885 1/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
BRDT Q58F21 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
SCHEMBL2780325 0.78 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3468222 0.77 KMT2A (0.35) KMT2APOLBMEN1GAAMAPK1
SCHEMBL2761694 0.76 GAA (0.62) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3467415 0.73 KMT2A (0.45) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3469152 0.72 KMT2A (0.46) KMT2APOLBMEN1GAAMAPK1
SCHEMBL3478615 0.68 KMT2A (0.41) KMT2APOLBMEN1GAAMAPK1
SCHEMBL13273820 0.63 PIK3CD (0.43) KMT2APOLBMEN1GAAMAPK1
SCHEMBL27212880 0.62 PGR (0.44) KMT2AGAAEPHX2
SCHEMBL9097140 0.61 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1
SCHEMBL5314641 0.61 KMT2A (0.67) KMT2APOLBMEN1GAAMAPK1

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-2010077839-A1 SUBSTITUTED OXINDOL CB2 AGONISTS FOR PAIN TREATMENT WYETH LLC (FORMERLY KNOWN AS WYETH) (US) 2010-07-08 WO disclosed