SCHEMBL3478615

SCHEMBL3478615

O=C1Nc2ccc(Nc3ccccc3)cc2[C@]12OCCC(CCF)O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRD1 P41143 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3467484 0.68 KMT2A (0.43) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2762571 0.63 KMT2A (0.41) KMT2AMEN1POLBGAAMAPK1
SCHEMBL13196473 0.63 GAA (0.57) KMT2AMEN1POLBGAAMAPK1
SCHEMBL9098061 0.62 KMT2A (0.61) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2825338 0.61 MAPK1 (0.54) KMT2AMEN1POLBGAAMAPK1
SCHEMBL13196445 0.60 CNR2 (0.57) POLBALDH1A1CNR2
SCHEMBL3468468 0.60 KMT2A (0.48) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2154996 0.60 KMT2A (1.00) KMT2AMEN1POLBGAAMAPK1
SCHEMBL2781617 0.59 KMT2A (0.57) KMT2AMEN1POLBGAAMAPK1
SCHEMBL28119211 0.59 IDO1 (0.47) SMN1; SMN2

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