SCHEMBL14159142

SCHEMBL14159142

Cc1nc2ccc(C(F)(F)F)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 2/20 0.53
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL31196722 0.82 SMN1; SMN2 (0.70) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5863348 0.81 KDM4E (0.81) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9922683 0.77 DRD2 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDMEN1
SCHEMBL3108406 0.77 CFTR (0.55) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5864193 0.77 MEN1 (0.88) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL31196717 0.76 MEN1 (0.71) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1882530 0.75 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12788310 0.75 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL14078123 0.75 PDE4A (0.48) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13409638 0.74 POLB (0.71) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10

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
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed