SCHEMBL3467415

SCHEMBL3467415

O=C1Nc2ccc(I)cc2[C@]12OCCC(c1ccc(F)c(F)c1)O2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
PGR P06401 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.32
PLK4 O00444 2/20 0.31
AURKB Q96GD4 2/20 0.31
MAPT P10636 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
SCHEMBL2762571 0.82 KMT2A (0.41) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2780325 0.75 KMT2A (0.67) KMT2AMEN1POLBGAAMAPK1
SCHEMBL3467484 0.73 KMT2A (0.43) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2761694 0.72 GAA (0.62) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2154996 0.64 KMT2A (1.00) KMT2AMEN1POLBGAAMAPK1
SCHEMBL3472577 0.64 OPRM1 (0.38) KMT2AMEN1POLBGAAMAPK1
SCHEMBL17950681 0.63 KMT2A (0.66) KMT2AMEN1POLBGAAMAPK1
SCHEMBL9097396 0.63 EPHX2 (0.64) KMT2AMEN1POLBGAAMAPK1
SCHEMBL3469152 0.62 KMT2A (0.46) KMT2AMEN1POLBGAAMAPK1
SCHEMBL8273542 0.62 KMT2A (0.88) KMT2AMEN1POLBGAAMAPK1

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