SCHEMBL7467686

SCHEMBL7467686

COc1c(F)ccc(/C=C2/SC(=O)NC2=O)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
PTPN1 P18031 3/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
AKR1B1 P15121 1/20 0.42
IGF1R P08069 3/20 0.41
TTR P02766 2/20 0.41
INSR P06213 1/20 0.41
NR1H4 Q96RI1 2/20 0.39
PDE4B Q07343 1/20 0.39
PIM3 Q86V86 1/20 0.39
GLS O94925 1/20 0.39
GLS2 Q9UI32 1/20 0.39
GSK3A P49840 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
SCHEMBL7467691 1.00 GSK3B (0.46) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL14492595 0.89 PTPN1 (0.43) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL5492857 0.89 PTPN1 (0.43) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL5492859 0.89 PTPN1 (0.43) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL7459467 0.86 GSK3B (0.47) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL7459464 0.86 GSK3B (0.47) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL14492585 0.85 PTPN1 (0.48) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL5488140 0.85 PTPN1 (0.48) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL5488144 0.85 PTPN1 (0.48) GSK3BNPC1RAB9AATMPTPN1
SCHEMBL14492748 0.83 PTPN1 (0.44) GSK3BNPC1RAB9AATMPTPN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP claimed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO disclosed