SCHEMBL21603769

SCHEMBL21603769

CSc1c(NC(=O)C2CC2)sc2c1CCCC2

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
MAPT P10636 4/20 0.62
HSD17B10 Q99714 1/20 0.62
FLT3 P36888 2/20 0.61
ALDH1A1 P00352 8/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
CNR2 P34972 2/20 0.50
CNR1 P21554 1/20 0.50
REV1 Q9UBZ9 1/20 0.48
HPGD P15428 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPY1R P25929 1/20 0.47
MDM2 Q00987 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL21604065 0.83 KDM4E (0.43) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604063 0.82 FLT3 (0.56) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL27418991 0.81 MAPT (0.54) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604179 0.81 MAPT (0.67) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604266 0.80 FLT3 (0.54) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21604053 0.79 KDM4E (0.76) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL3914277 0.77 FLT3 (0.77) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL5453482 0.77 MAPT (0.72) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL21603922 0.77 KDM4E (1.00) KDM4EMAPTHSD17B10FLT3ALDH1A1
SCHEMBL3922474 0.76 FLT3 (1.00) 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