SCHEMBL28607607

SCHEMBL28607607

CCOC(=O)c1c(NC(=O)C2CC(F)C2)sc2c1C[C@@H](N)CC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 8/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.46
ATM Q13315 1/20 0.45

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
SCHEMBL28607611 1.00 KDM4E (0.53) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL21597779 0.91 KMT2A (0.59) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28610753 0.89 MAPT (0.55) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28610613 0.89 MAPT (0.55) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28611808 0.87 KMT2A (0.51) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28610544 0.86 KDM4E (0.57) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28610570 0.85 KDM4E (0.52) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28612056 0.82 KDM4E (0.48) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL28612057 0.82 KDM4E (0.48) KDM4EMAPTALDH1A1LMNATSHR
SCHEMBL30148439 0.81 MAPT (0.52) KDM4EMAPTALDH1A1LMNATSHR

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
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