SCHEMBL21597745

SCHEMBL21597745

CC(C)CNC(=O)c1c(NC(=O)C2CC2)sc2c1CC(N)CC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
CNR1 P21554 1/20 0.51
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
REV1 Q9UBZ9 4/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL21597822 0.86 CNR2 (0.57) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL28920828 0.85 CNR2 (0.50) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21597817 0.85 CNR2 (0.50) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21597261 0.85 CNR2 (0.50) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21597867 0.85 CNR2 (0.46) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21597580 0.85 CNR2 (0.46) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21603872 0.81 CNR2 (0.45) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL28618673 0.80 KDM4E (0.70) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21603914 0.80 KDM4E (0.70) CNR2CNR1FLT3KDM4EHSD17B10
SCHEMBL21597849 0.79 FLT3 (0.40) CNR2CNR1FLT3KDM4EHSD17B10

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