SCHEMBL11545735

SCHEMBL11545735

CCCn1nc(NC(=O)C(C)(C)C)c(C#N)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.36
ALDH1A1 P00352 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
MAP4K2 Q12851 2/20 0.33
PKN2 Q16513 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
HPGD P15428 1/20 0.33
SIGMAR1 Q99720 5/20 0.33
MAPK9 P45984 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK10 P53779 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32

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
SCHEMBL11545369 0.93 HSD17B10 (0.40) MAPK8ALDH1A1ATMHSD17B10MEN1
SCHEMBL11544775 0.90 MAPT (0.42) MAPK8ALDH1A1ATML3MBTL1POLB
SCHEMBL11547806 0.90 ATM (0.41) MAPK8ALDH1A1ATML3MBTL1POLB
SCHEMBL11543962 0.82 L3MBTL1 (0.37) MAPK8ALDH1A1L3MBTL1POLBMAPT
SCHEMBL11546363 0.82 MAPK8 (0.45) MAPK8ATMHSD17B10MAPTPRKD3
SCHEMBL11545068 0.77 L3MBTL1 (0.36) MAPK8ALDH1A1L3MBTL1POLBPRKD3
SCHEMBL11548205 0.77 MAPT (0.44) MAPK8ALDH1A1MAPTMEN1KMT2A
SCHEMBL11544559 0.71 L3MBTL1 (0.37) ALDH1A1L3MBTL1POLBHSD17B10MAPT
SCHEMBL11546474 0.71 TSHR (0.40) ALDH1A1POLBHSD17B10MAPTMEN1
SCHEMBL11546629 0.70 KMT2A (0.40) MAPK8L3MBTL1MAPTMEN1KMT2A

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
US-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed