SCHEMBL14035946

SCHEMBL14035946

CCOc1cccc(C(Nc2ccc(C#N)nc2)C(=O)NCc2cc(NC(C)=O)ccc2S)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CSNK2A1 P68400 1/20 0.39
F7 P08709 4/20 0.39
F3 P13726 3/20 0.39
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
F11 P03951 2/20 0.39
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHEK1 O14757 3/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5002743 0.89 F7 (0.51) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL14035953 0.87 TDP1 (0.41) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL4599433 0.79 F10 (0.47) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL14009202 0.76 F7 (0.53) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL14009133 0.72 F7 (0.54) KMT2AMEN1TDP1MAPTL3MBTL1
Trifluoroacetic Acid SCHEMBL5003012 0.72 F7 (0.49) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL8251269 0.71 F7 (0.54) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL14009147 0.70 F7 (0.53) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL14009175 0.70 F7 (0.53) KMT2AMEN1TDP1MAPTL3MBTL1
SCHEMBL4598702 0.70 F7 (0.52) KMT2AMEN1TDP1MAPTL3MBTL1

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
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed