SCHEMBL7746877

SCHEMBL7746877

CC(C)(C)c1ccc(C(N)=O)cc1.CCn1nc(C)cc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 5/20 0.47
RXFP1 Q9HBX9 2/20 0.47
POLB P06746 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
CDC25A P30304 3/20 0.45
CDC25B P30305 3/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 3/20 0.44
ALPG P10696 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3083631 0.89 MAPT (0.59) MAPTLMNARXFP1POLBCDC25A
SCHEMBL3071327 0.83 LMNA (0.60) MAPTLMNARXFP1POLBCDC25A
SCHEMBL3074301 0.82 TP53 (0.53) MAPTLMNARXFP1POLBCDC25A
SCHEMBL13856857 0.75 TP53 (0.61) MAPTRXFP1POLBTP53NPSR1
SCHEMBL12325796 0.73 ALDH1A1 (0.52) MAPTLMNAPOLBSMN1; SMN2NPSR1
SCHEMBL6489608 0.72 SMN1; SMN2 (0.51) LMNASMN1; SMN2NPSR1ALDH1A1HTT
Water SCHEMBL1905420 0.71 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
Water SCHEMBL1905418 0.71 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2NPSR1ALDH1A1
SCHEMBL3072473 0.71 ALDH1A1 (0.52) MAPTLMNAPOLBSMN1; SMN2ALPG
SCHEMBL23527195 0.68 ALDH1A1 (0.77) MAPTLMNAPOLBCDC25ACDC25B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed