SCHEMBL11545839

SCHEMBL11545839

CN(C)c1[nH]nc(NC(=O)C(F)(F)F)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.38
DHODH Q02127 8/20 0.36
MAPT P10636 1/20 0.32
DYRK1A Q13627 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11548479 0.79 CHUK (0.38) CHUKDHODHDYRK1AALDH1A1
SCHEMBL11551680 0.78 GAA (0.41) CHUKDHODHDYRK1A
SCHEMBL11544777 0.73 CHUK (0.34) CHUKDHODH
SCHEMBL11546629 0.65 KMT2A (0.40) MAPT
SCHEMBL11545752 0.65 KMT2A (0.40) MAPT
SCHEMBL2878184 0.64 CHUK (0.58) CHUKDHODHMAPTDYRK1AALDH1A1
SCHEMBL13161568 0.61 ALOX15 (0.45) CHUKMAPTDYRK1AALDH1A1
SCHEMBL5361486 0.61 MEN1 (0.33)
SCHEMBL11548205 0.59 MAPT (0.44) MAPTALDH1A1
SCHEMBL8023382 0.58

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