SCHEMBL5248115

SCHEMBL5248115

Cc1cc(C#CC(C)(C)C)ccc1C(=O)Nc1cccc2c(Cl)nc(I)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RORC P51449 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PARP1 P09874 1/20 0.34
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3596391 0.85 KMT2A (0.41) KMT2AALDH1A1NPC1MAPTMEN1
SCHEMBL13993462 0.84 THRB (0.41) KMT2AALDH1A1NPC1MAPTRORC
SCHEMBL13544245 0.84 HSD17B10 (0.51) KMT2AHSD17B10ALDH1A1NPC1MAPT
SCHEMBL13544272 0.79 RAF1 (0.40) KMT2AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL3592435 0.78 TRPV1 (0.49) KMT2AALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL13544243 0.77 PTGES (0.51) KMT2AHSD17B10ALDH1A1NPC1RORC
SCHEMBL3579041 0.74 NR3C1 (0.40) KMT2ANPC1RAB9APARP1
SCHEMBL13544252 0.72 PKM (0.48) KMT2AHSD17B10ALDH1A1NPC1RORC
SCHEMBL3583759 0.72 TRPV1 (0.48) CNR1
SCHEMBL13544762 0.68 KMT2A (0.51) KMT2AALDH1A1NPC1MAPTSMN1; SMN2

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-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed