SCHEMBL13273674

SCHEMBL13273674

O=C1N(c2ccccc2)c2ccc(S(=O)(=O)N3CC(F)(F)C3)cc2C12OCCCO2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
POLB P06746 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ANPEP P15144 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
CNR1 P21554 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2780892 0.83 CNR2 (0.44) CNR2POLBALDH1A1ANPEPL3MBTL1
SCHEMBL2784556 0.78 PKM (0.41) CNR2POLBALDH1A1L3MBTL1LMNA
SCHEMBL13196604 0.78 CNR2 (0.40) CNR2POLBALDH1A1ANPEPL3MBTL1
SCHEMBL2783111 0.76 POLB (0.48) CNR2POLBALDH1A1ANPEPKDM4E
SCHEMBL13196442 0.76 ALDH1A1 (0.41) CNR2POLBALDH1A1ANPEPL3MBTL1
SCHEMBL13196436 0.76 POLB (0.45) POLBALDH1A1ANPEPL3MBTL1KDM4E
SCHEMBL2780358 0.75 CNR2 (0.39) CNR2POLBALDH1A1ANPEPL3MBTL1
SCHEMBL2782395 0.75 HTT (0.39) CNR2POLBMEN1KMT2AALDH1A1
SCHEMBL3467433 0.74 KMT2A (0.49) CNR2POLBMEN1KMT2AKDM4E
SCHEMBL13196558 0.74 NAMPT (0.39) CNR2POLB

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