SCHEMBL8553043

SCHEMBL8553043

Cc1scc(F)c1C1=NC(C)(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
IL2 P60568 1/20 0.34
ATM Q13315 2/20 0.32
CYP2D6 P10635 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8630585 0.76 KDM4E (0.47) KDM4EHTTLMNAMAPTIL2
SCHEMBL610883 0.73 HTT (0.47) KDM4EHTTLMNAMAPTIL2
SCHEMBL2886677 0.73 KDM4E (0.59) KDM4EHTTLMNAMAPTIL2
SCHEMBL9085324 0.73 KDM4E (0.42) KDM4EHTTLMNAMAPTIL2
SCHEMBL2886094 0.72 KDM4E (0.53) KDM4EHTTLMNAMAPTIL2
SCHEMBL9088744 0.72 HTT (0.43) KDM4EHTTLMNAMAPTIL2
SCHEMBL610146 0.72 LMNA (0.43) KDM4EHTTLMNAMAPTIL2
SCHEMBL9089557 0.70 KDM4E (0.42) KDM4EHTTLMNAMAPTIL2
SCHEMBL5778345 0.69 LMNA (0.43) KDM4EHTTLMNAMAPTIL2
SCHEMBL9791116 0.68 KDM4E (0.44) KDM4EHTTLMNAMAPTIL2

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
EP-0816362-A1 THIAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1998-01-07 EP disclosed