SCHEMBL6410302

SCHEMBL6410302

O=C(O)OC1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 4/20 0.48
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD11B1 P28845 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.41
CNR1 P21554 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41

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
SCHEMBL6417720 0.90 ALDH1A1 (0.58) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6410504 0.89 MEN1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6409449 0.89 CYP2C19 (0.49) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL6410874 0.89 PKM (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6410962 0.87 PKM (0.50) POLBALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6409410 0.86 FAAH (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6417412 0.86 ATM (0.51) SMN1; SMN2POLBALDH1A1KMT2AL3MBTL1
SCHEMBL6412295 0.84 MEN1 (0.52) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6412249 0.83 JAK2 (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL6410300 0.83 SMN1; SMN2 (0.62) SMN1; SMN2POLBALDH1A1KMT2AMEN1

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