SCHEMBL6410679

SCHEMBL6410679

CCSCCNC(=O)OC1=NOC2(CCN(C(=O)c3c(-c4c(F)cccc4Cl)noc3C)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
GAA P10253 2/20 0.50
ATM Q13315 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2577132 0.89 KMT2A (0.56) KMT2AGAAATMKDM4EMEN1
SCHEMBL6412185 0.87 KMT2A (0.55) KMT2AGAAATMKDM4EMEN1
SCHEMBL6415762 0.86 KMT2A (0.64) KMT2AGAAATMKDM4EMEN1
SCHEMBL6437992 0.81 KMT2A (0.59) KMT2AGAAATMKDM4EMEN1
SCHEMBL6410191 0.81 POLB (0.53) KMT2AGAAATMKDM4EMEN1
SCHEMBL2402740 0.79 KMT2A (0.66) KMT2AGAAATMKDM4EMEN1
SCHEMBL2401091 0.77 KMT2A (0.57) KMT2AGAAATMKDM4EMEN1
SCHEMBL6413167 0.74 FPR3 (0.37) KMT2AGAASMN1; SMN2MAPTLMNA
SCHEMBL6411491 0.72 KMT2A (0.61) KMT2AGAAATMKDM4EMEN1
SCHEMBL2400990 0.71 POLB (0.57) KMT2AGAAATMKDM4EMEN1

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