SCHEMBL6415762

SCHEMBL6415762

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
GAA P10253 2/20 0.59
ATM Q13315 1/20 0.59
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6437992 0.94 KMT2A (0.59) KMT2AGAAATMKDM4EMEN1
SCHEMBL6412185 0.89 KMT2A (0.55) KMT2AGAAATMKDM4EMEN1
SCHEMBL2402740 0.88 KMT2A (0.66) KMT2AGAAATMKDM4EMEN1
SCHEMBL6410679 0.86 KMT2A (0.53) KMT2AGAAATMKDM4EMEN1
SCHEMBL2401091 0.82 KMT2A (0.57) KMT2AGAAATMKDM4EMEN1
SCHEMBL6411491 0.81 KMT2A (0.61) KMT2AGAAATMKDM4EMEN1
SCHEMBL6410191 0.81 POLB (0.53) KMT2AGAAATMKDM4EMEN1
SCHEMBL2577132 0.79 KMT2A (0.56) KMT2AGAAATMKDM4EMEN1
SCHEMBL6409627 0.77 HPGD (0.40) ALDH1A1
SCHEMBL6410909 0.75 HPGD (0.35) KMT2AMEN1SMN1; SMN2LMNAALDH1A1

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
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