SCHEMBL8070518

SCHEMBL8070518

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.44
MEN1 O00255 8/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ENPP2 Q13822 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL8060719 0.84 KMT2A (0.60) KMT2AMEN1ATMALDH1A1HTT
SCHEMBL27795750 0.84 KMT2A (0.60) KMT2AMEN1ATMALDH1A1HTT
SCHEMBL8044111 0.84 KMT2A (0.60) KMT2AMEN1ATMALDH1A1HTT
SCHEMBL12920945 0.81 KMT2A (0.53) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL13082765 0.79 KMT2A (0.52) KMT2AMEN1ATMALDH1A1LMNA
SCHEMBL8062922 0.78 KMT2A (0.41) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL12920995 0.77 KMT2A (0.49) KMT2AMEN1ATMALDH1A1MAPT
SCHEMBL4075272 0.73 CNR2 (0.43) ALDH1A1HTTSLC6A9
SCHEMBL5662464 0.73 CNR2 (0.43) ALDH1A1HTTSLC6A9
SCHEMBL12946361 0.72 KMT2A (0.57) KMT2AMEN1ATMALDH1A1HTT

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
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO disclosed