SCHEMBL4075143

SCHEMBL4075143

O=C(CCCNc1ccc(C(=O)NN=Cc2ccncc2)cc1)NN=Cc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 5/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
MAPT P10636 6/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
RECQL P46063 1/20 0.58
ROCK2 O75116 3/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL13569028 1.00 GRK2 (0.62) GRK2SMN1; SMN2MAPTKMT2APOLB
SCHEMBL13569037 0.88 RAB9A (0.66) GRK2SMN1; SMN2MAPTKMT2APOLB
SCHEMBL13568880 0.88 RAB9A (0.60) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL4082049 0.88 RAB9A (0.66) GRK2SMN1; SMN2MAPTKMT2APOLB
SCHEMBL4074184 0.88 RAB9A (0.60) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL13568977 0.83 MEN1 (0.48) SMN1; SMN2MAPTKMT2APOLBALDH1A1
SCHEMBL4073741 0.83 MEN1 (0.48) SMN1; SMN2MAPTKMT2APOLBALDH1A1
SCHEMBL13568966 0.81 POLB (0.50) SMN1; SMN2MAPTKMT2APOLBMEN1
SCHEMBL13568915 0.81 MAPT (0.58) SMN1; SMN2MAPTKMT2APOLBALDH1A1
SCHEMBL4074120 0.81 MAPT (0.58) SMN1; SMN2MAPTKMT2APOLBALDH1A1

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed