SCHEMBL6410171

SCHEMBL6410171

COc1ccc(CNC(=O)OC2=NOC3(CCN(S(=O)(=O)c4cc(Cl)ccc4Cl)CC3)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL2399296 0.88 L3MBTL1 (0.49) L3MBTL1MAPTALDH1A1RAB9AGAA
SCHEMBL6409465 0.81 ATM (0.37) L3MBTL1MAPTALDH1A1MEN1LMNA
SCHEMBL1457755 0.79 PDGFRB (0.43) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL6417412 0.79 ATM (0.51) L3MBTL1MAPTALDH1A1GAAPOLB
SCHEMBL1457277 0.78 ALDH1A1 (0.49) ALDH1A1GAAMAPK1POLBMEN1
SCHEMBL1457551 0.78 ALDH1A1 (0.41) MAPTALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL6410801 0.77 KMT2A (0.48) L3MBTL1ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL1457496 0.76 ALDH1A1 (0.45) MAPTALDH1A1RAB9AMAPK1SMN1; SMN2
SCHEMBL1457183 0.76 HCRTR1 (0.42) L3MBTL1MAPTALDH1A1GAAMAPK1
SCHEMBL1456969 0.76 FKBP1A (0.43) MAPTALDH1A1RAB9AGAAMAPK1

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