SCHEMBL21603744

SCHEMBL21603744

CC(C)(O)Cc1c(NC(=O)C2CC2)sc2c1CCCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
HSD17B10 Q99714 1/20 0.57
FLT3 P36888 2/20 0.56
ALDH1A1 P00352 5/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
REV1 Q9UBZ9 1/20 0.45
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPY1R P25929 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ANO1 Q5XXA6 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
SCHEMBL21603632 0.82 MAPT (0.60) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21603714 0.81 KDM4E (0.58) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604205 0.80 MAPT (0.57) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21603658 0.80 KDM4E (0.57) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604179 0.77 MAPT (0.67) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21597309 0.77 KDM4E (0.51) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604053 0.75 KDM4E (0.76) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21603769 0.74 KDM4E (0.62) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604247 0.74 FLT3 (0.61) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL3914277 0.73 FLT3 (0.77) KDM4EMAPTHSD17B10FLT3ALDH1A1

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