SCHEMBL11548205

SCHEMBL11548205

N#Cc1c(NC(=O)C(F)(F)F)nn(CCO)c1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK8 P45983 1/20 0.32
MEN1 O00255 2/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL11544775 0.87 MAPT (0.42) MAPTALDH1A1NR1I2AHRLMNA
SCHEMBL11546629 0.81 KMT2A (0.40) MAPTLMNAKMT2AGAANPC1
SCHEMBL11545735 0.77 MAPK8 (0.36) MAPTALDH1A1KMT2AMAPK8MEN1
SCHEMBL11545369 0.75 HSD17B10 (0.40) ALDH1A1KMT2AGAAMAPK8MEN1
SCHEMBL11547806 0.74 ATM (0.41) ALDH1A1LMNAKMT2AMAPK8MEN1
SCHEMBL11576859 0.71 MAPT (0.54) MAPTALDH1A1NR1I2AHRLMNA
SCHEMBL11545752 0.70 KMT2A (0.40) MAPTLMNAKMT2AGAANPC1
SCHEMBL11546363 0.69 MAPK8 (0.45) MAPTKMT2AMAPK8MEN1
SCHEMBL11543962 0.69 L3MBTL1 (0.37) MAPTALDH1A1MAPK8HTT
SCHEMBL8552268 0.68 TSHR (0.55) MAPTALDH1A1NR1I2AHRLMNA

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