SCHEMBL14755583

SCHEMBL14755583

CC(C)(C)c1cnnc(C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.34
▸ NNMT P40261 1/20 0.34
▸ SIRT6 Q8N6T7 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ACVR1 Q04771 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
SCHEMBL29921698 0.81 KMT2A (0.51) SMN1; SMN2KMT2ALMNACDK5KDM4E
SCHEMBL16978930 0.76 LMNA (0.48) LRRK2SMN1; SMN2KMT2ALMNAAURKA
SCHEMBL3415008 0.75 PARP1 (0.38) LMNANNMTSIRT6ADORA3TSHR
SCHEMBL31226700 0.72 LMNA (0.39) SMN1; SMN2KMT2ALMNANNMTSIRT6
SCHEMBL164974 0.72 LMNA (0.39) KMT2ALMNANNMTSIRT6ADORA3
SCHEMBL11347539 0.70 RAF1 (0.44) LRRK2SMN1; SMN2KMT2AADORA3TSHR
SCHEMBL29705430 0.70 NNMT (0.46) KMT2ANNMTSIRT6KDM4EMAPT
SCHEMBL25692509 0.70 ICAM1 (0.35) SMN1; SMN2KMT2ALMNANNMTSIRT6
SCHEMBL27215247 0.70 NNMT (0.46) KMT2ANNMTSIRT6KDM4EMAPT
SCHEMBL30364115 0.70 PARP1 (0.42) SMN1; SMN2KMT2ALMNANNMTSIRT6

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-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 — — WO disclosed
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