SCHEMBL28615767

SCHEMBL28615767

CS(=O)(=O)NNC1CCc2sc(NC(=O)C3CC3)c(C(=O)NCC3CC3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.44
CNR1 P21554 5/20 0.44
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
FLT3 P36888 1/20 0.40
REV1 Q9UBZ9 3/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RORC P51449 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL21597372 0.90 CNR2 (0.46) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597062 0.87 CNR2 (0.44) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597811 0.86 CNR2 (0.48) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL28610577 0.86 KDM4E (0.46) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21603674 0.84 CNR2 (0.47) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597123 0.84 CNR2 (0.48) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL27419058 0.84 LMNA (0.46) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL28607581 0.83 KDM4E (0.60) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597144 0.83 CNR2 (0.46) CNR2CNR1KDM4EHSD17B10MAPT
SCHEMBL21597173 0.83 CNR2 (0.46) CNR2CNR1KDM4EHSD17B10MAPT

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
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