SCHEMBL2762571

SCHEMBL2762571

O=C1Nc2ccc(CCc3ccccc3)cc2[C@]12OCCC(c1ccc(F)c(F)c1)O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
PGR P06401 1/20 0.30
IP6K1 Q92551 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
IP6K2 Q9UHH9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
EPHX2 P34913 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
SCHEMBL3467415 0.82 KMT2A (0.45) KMT2AMEN1POLBGAAMAPK1
SCHEMBL3472577 0.66 OPRM1 (0.38) KMT2AMEN1POLBGAAMAPK1
SCHEMBL3478615 0.63 KMT2A (0.41) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2781670 0.63 ALDH1A1 (0.41) POLBALDH1A1KDM4E
SCHEMBL16191225 0.61 HTT (0.51) MAOAMAOB
SCHEMBL3469152 0.61 KMT2A (0.46) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2154996 0.60 KMT2A (1.00) KMT2AMEN1POLBGAAMAPK1
SCHEMBL9098061 0.60 KMT2A (0.61) KMT2AMEN1POLBGAAMAPK1
SCHEMBL17950681 0.60 KMT2A (0.66) KMT2AMEN1POLBGAAMAPK1
SCHEMBL9097396 0.59 EPHX2 (0.64) 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-2010090680-A1 SUBSTITUTED OXINDOLE CB2 AGONISTS WYETH LLC (US) 2010-08-12 WO disclosed