SCHEMBL21604205

SCHEMBL21604205

CCCCc1c(NC(=O)C2CC2)sc2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 1/20 0.57
FLT3 P36888 2/20 0.56
ALDH1A1 P00352 7/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
HTT P42858 1/20 0.45
REV1 Q9UBZ9 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK10 P53779 1/20 0.44
HPGD P15428 1/20 0.43
NPY1R P25929 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL21603632 0.92 MAPT (0.60) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21603714 0.81 KDM4E (0.58) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21603744 0.80 KDM4E (0.57) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21603658 0.80 KDM4E (0.57) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21604179 0.80 MAPT (0.67) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL27418991 0.80 MAPT (0.54) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21603687 0.79 CNR2 (0.71) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21597491 0.79 MAPT (0.53) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21597413 0.78 MAPT (0.52) MAPTKDM4EHSD17B10FLT3ALDH1A1
SCHEMBL21604028 0.78 CNR2 (0.70) MAPTKDM4EHSD17B10FLT3ALDH1A1

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
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed