SCHEMBL11544775

SCHEMBL11544775

CC(C)(C)C(=O)Nc1nn(CCO)c(N)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.34
MAPK8 P45983 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
SIGMAR1 Q99720 6/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD4 O60885 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL11545735 0.90 MAPK8 (0.36) MAPTALDH1A1L3MBTL1MAPK8POLB
SCHEMBL11545369 0.88 HSD17B10 (0.40) ALDH1A1MAPK8HPGDSIGMAR1ATM
SCHEMBL11548205 0.87 MAPT (0.44) MAPTALDH1A1LMNANR1I2AHR
SCHEMBL11547806 0.87 ATM (0.41) ALDH1A1LMNAL3MBTL1MAPK8POLB
SCHEMBL11543962 0.82 L3MBTL1 (0.37) MAPTALDH1A1L3MBTL1MAPK8POLB
SCHEMBL11545068 0.77 L3MBTL1 (0.36) ALDH1A1LMNAL3MBTL1MAPK8POLB
SCHEMBL11546363 0.72 MAPK8 (0.45) MAPTMAPK8HPGDATMMEN1
SCHEMBL11544559 0.71 L3MBTL1 (0.37) MAPTALDH1A1LMNAL3MBTL1POLB
SCHEMBL8552268 0.71 TSHR (0.55) MAPTALDH1A1LMNANR1I2AHR
SCHEMBL11576859 0.71 MAPT (0.54) MAPTALDH1A1LMNANR1I2AHR

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