SCHEMBL8060719

SCHEMBL8060719

COC(=O)CNC(=S)NC(C)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
ATM Q13315 1/20 0.60
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8044111 1.00 KMT2A (0.60) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL27795750 1.00 KMT2A (0.60) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL12946361 0.86 KMT2A (0.57) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL8045931 0.86 KMT2A (0.60) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL8070518 0.84 KMT2A (0.44) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL8068964 0.84 HTT (0.52) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL12920954 0.79 KMT2A (0.70) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL3923891 0.77 KMT2A (0.63) KMT2AMEN1ATMHTTALDH1A1
SCHEMBL13082765 0.76 KMT2A (0.52) KMT2AMEN1ATMALDH1A1KDM4E
SCHEMBL12920962 0.74 KMT2A (0.57) KMT2AMEN1ATMHTTALDH1A1

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
CN-101878202-A Gamma secretase modulators SCHERING CORP 2010-11-03 CN disclosed
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO disclosed