SCHEMBL21597779

SCHEMBL21597779

CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC(N)CC2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
MAPT P10636 9/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 6/20 0.55
HSD17B10 Q99714 2/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.53
TSHR P16473 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL28607607 0.91 KDM4E (0.53) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL28607611 0.91 KDM4E (0.53) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL28611808 0.90 KMT2A (0.51) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL21603914 0.89 KDM4E (0.70) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL28618673 0.89 KDM4E (0.70) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL28610544 0.88 KDM4E (0.57) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL21597701 0.88 MAPT (0.51) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL21597710 0.88 KDM4E (0.69) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL28610613 0.87 MAPT (0.55) KMT2AMAPTALDH1A1HPGDKDM4E
SCHEMBL28610570 0.87 KDM4E (0.52) KMT2AMAPTALDH1A1HPGDKDM4E

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 3 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
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
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed