SCHEMBL6437992

SCHEMBL6437992

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.53
NPSR1 Q6W5P4 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 3/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
EPAS1 Q99814 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6415762 0.94 KMT2A (0.64) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6411491 0.87 KMT2A (0.61) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6410191 0.84 POLB (0.53) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6412185 0.84 KMT2A (0.55) KMT2AMEN1TDP1KDM4ETSHR
SCHEMBL2402740 0.81 KMT2A (0.66) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6410679 0.81 KMT2A (0.53) KMT2AMEN1TDP1KDM4ETSHR
SCHEMBL6411430 0.78 RAB9A (0.47) KMT2AMEN1TDP1KDM4EPOLB
SCHEMBL6409627 0.77 HPGD (0.40) ALDH1A1
SCHEMBL6416570 0.76 PKM (0.47) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL2400990 0.76 POLB (0.57) KMT2AMEN1TDP1KDM4EPOLB

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