SCHEMBL6410504

SCHEMBL6410504

O=C(O)OC1=NOC2(CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6410302 0.89 SMN1; SMN2 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6410874 0.87 PKM (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6410502 0.86 MEN1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6417720 0.84 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6409449 0.83 CYP2C19 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6415785 0.82 HTR1A (0.46)
SCHEMBL6417412 0.82 ATM (0.51) KMT2ASMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL6411703 0.82 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6410962 0.81 PKM (0.50) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL6412295 0.81 MEN1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1

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