SCHEMBL8069232

SCHEMBL8069232

CC1OC(CCNC(=S)NC(CCO)c2ccc(F)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.41
MEN1 O00255 6/20 0.41
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 2/20 0.33
POLB P06746 1/20 0.31

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
SCHEMBL12920995 0.78 KMT2A (0.49) KMT2AMEN1ATMALDH1A1GAA
SCHEMBL12920945 0.78 KMT2A (0.53) KMT2AMEN1ATMALDH1A1GAA
SCHEMBL8070518 0.71 KMT2A (0.44) KMT2AMEN1ATMALDH1A1MAPT
SCHEMBL3923891 0.69 KMT2A (0.63) KMT2AMEN1ATMALDH1A1POLB
SCHEMBL4740056 0.65 CACNA1B (0.38) KMT2AMEN1
SCHEMBL4075272 0.64 CNR2 (0.43) ALDH1A1EPHX2
SCHEMBL5662464 0.64 CNR2 (0.43) ALDH1A1EPHX2
SCHEMBL12920954 0.61 KMT2A (0.70) KMT2AMEN1ATMALDH1A1
SCHEMBL5463448 0.60 KMT2A (0.44) KMT2AMEN1ATMALDH1A1
SCHEMBL22018065 0.59 HTT (0.36) KMT2AALDH1A1

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