SCHEMBL6969494

SCHEMBL6969494

CSCc1cc(C#N)cc(CN(C(=O)COc2ccccc2)c2cnn(CC(C)C)c2C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 3/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6967247 0.91 POLB (0.38) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6973145 0.78 ALDH1A1 (0.40) POLBALDH1A1
SCHEMBL6973013 0.78 ALDH1A1 (0.40) POLBALDH1A1
SCHEMBL6972441 0.76 ALDH1A1 (0.43) ALDH1A1
SCHEMBL6960549 0.75 MAPT (0.38) POLBALDH1A1NPSR1
SCHEMBL6968547 0.75 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6969060 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL6970690 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6964253 0.74 ALDH1A1 (0.34) POLBALDH1A1
SCHEMBL6970684 0.74 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAKMT2ATDP1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed