SCHEMBL21597619

SCHEMBL21597619

CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(C)CC2C.O=C(Cl)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 6/20 0.47
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 3/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BLM P54132 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
SCHEMBL27419169 0.96 MAPT (0.57) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597744 0.86 MAPT (0.53) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597687 0.80 MAPT (0.41) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21603868 0.80 MAPT (0.58) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597710 0.78 KDM4E (0.69) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597815 0.77 MAPT (0.57) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597092 0.76 CNR2 (0.40) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597352 0.74 ALDH1A1 (0.58) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL21597242 0.73 ALDH1A1 (0.68) MAPTALDH1A1HPGDMAPK1KMT2A
SCHEMBL5455639 0.72 KMT2A (0.58) MAPTALDH1A1HPGDMAPK1KMT2A

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 2 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
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed