SCHEMBL6412185

SCHEMBL6412185

Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC2(CC1)CC(OC(=O)NCc1ccccc1)=NO2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
ATM Q13315 2/20 0.51
GAA P10253 2/20 0.51
MEN1 O00255 5/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GHSR Q92847 1/20 0.45

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
SCHEMBL6415762 0.89 KMT2A (0.64) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL2401091 0.89 KMT2A (0.57) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL6410679 0.87 KMT2A (0.53) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL6410191 0.85 POLB (0.53) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL6437992 0.84 KMT2A (0.59) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL2402740 0.81 KMT2A (0.66) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL6409695 0.79 HTR1A (0.49)
SCHEMBL2577132 0.77 KMT2A (0.56) KMT2AATMGAAMEN1L3MBTL1
SCHEMBL6410103 0.77 CYP2D6 (0.42) KMT2AGAAMEN1KDM4EMAPT
SCHEMBL6410188 0.76 MEN1 (0.45) KMT2AMEN1KDM4EMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed