SCHEMBL21597633

SCHEMBL21597633

COC(=O)c1c(NC(=O)C2CC2)sc2c1CC(NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
HSD17B10 Q99714 3/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 8/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.44
FLT3 P36888 1/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 3/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
CHD1L Q86WJ1 1/20 0.41
PARP9 Q8IXQ6 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
SCHEMBL28607646 1.00 KDM4E (0.60) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21597712 0.91 KDM4E (0.47) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21597616 0.91 KDM4E (0.47) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21603737 0.90 KMT2A (0.52) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21597604 0.88 MAPT (0.47) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21603936 0.87 MAPT (0.46) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21603928 0.84 CNR2 (0.46) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21603941 0.84 CNR2 (0.46) KDM4EHSD17B10MAPTALDH1A1GAA
SCHEMBL21603967 0.84 CNR2 (0.50) KDM4EHSD17B10MAPTALDH1A1FLT3
SCHEMBL28609323 0.84 CNR2 (0.46) KDM4EHSD17B10MAPTALDH1A1GAA

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-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed