SCHEMBL6156337

SCHEMBL6156337

COC(=O)c1cn(CC(C)C)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.39
ACHE P22303 2/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK10 P53779 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MYC P01106 1/20 0.33
NR4A2 P43354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL6154440 0.86 TSHR (0.42) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL6155749 0.82 ACHE (0.40) ALDH1A1POLBGAAACHELMNA
SCHEMBL841237 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBGAALMNA
SCHEMBL27634513 0.82 ACHE (0.40) ALDH1A1KDM4EPOLBGAAACHE
SCHEMBL6971478 0.81 ACHE (0.39) ALDH1A1POLBACHELMNANAMPT
SCHEMBL6154824 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBGAALMNA
SCHEMBL841632 0.76 GAA (0.51) ALDH1A1KDM4EPOLBGAASMN1; SMN2
SCHEMBL11079834 0.76 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBGAALMNA
SCHEMBL841373 0.76 SMN1; SMN2 (0.39) ALDH1A1KDM4EPOLBGAALMNA
SCHEMBL720425 0.75 KLKB1 (0.53) ALDH1A1POLBLMNASMN1; SMN2MAPT

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-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed