SCHEMBL28851081

SCHEMBL28851081

CC(=O)Nc1cn(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PTK2 Q05397 1/20 0.42
▸ MAPK7 Q13164 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CD38 P28907 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK8 P45983 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37

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
SCHEMBL20191038 0.82 CD38 (0.38) MAPK7FGFR4KDM4EALDH1A1CD38
SCHEMBL21561683 0.79 CD38 (0.39) MAPK7FGFR4KDM4EMAPTALDH1A1
SCHEMBL24801406 0.79 CCNE1 (0.42) MAPK7FGFR4KDM4EALDH1A1CD38
SCHEMBL21941873 0.79 L3MBTL1 (0.42) L3MBTL1MAPK7FGFR4MAPTALDH1A1
SCHEMBL31665482 0.79 POLB (0.47) MAPK7KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9095980 0.78 TDP1 (0.35) MAPK7FGFR4CD38TSHRACSS2
SCHEMBL21561704 0.78 CD38 (0.40) MAPK7FGFR4CD38ACSS2HDAC1
SCHEMBL20205014 0.78 FGFR4 (0.40) MAPK7FGFR4CD38TSHRMAPK8
Iodoacetamide SCHEMBL21543916 0.77 CD38 (0.35) MAPK7FGFR4KDM4EALDH1A1CD38
SCHEMBL30125665 0.75 GSK3B (0.45) MAPK7FGFR4CD38MAP4K4ACSS2

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
CN-104928661-B A kind of compound ion liquid brown liquid for printed circuit board 华南理工大学 2017-10-20 — — CN disclosed
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