SCHEMBL12442500

SCHEMBL12442500

N=C(NCCCCc1ccc(C(=O)NCCO)cc1)NC(=O)c1nc(I)c(N)nc1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 11/20 0.41
MLYCD O95822 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC3 O15379 1/20 0.37
ESRRG P62508 1/20 0.36

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
SCHEMBL9913785 0.89 SCNN1A (0.53) SCNN1A
Hydrochloric Acid SCHEMBL2329255 0.89 SCNN1A (0.52) SCNN1A
SCHEMBL12442498 0.86 SCNN1A (0.41) SCNN1A
SCHEMBL12443046 0.85 SCNN1A (0.55) SCNN1A
SCHEMBL12442490 0.85 SCNN1A (0.55) SCNN1A
SCHEMBL12443055 0.82 SCNN1A (0.50) SCNN1A
SCHEMBL12433383 0.82 SCNN1A (0.53) SCNN1A
SCHEMBL13979964 0.82 SCNN1A (0.40) SCNN1A
SCHEMBL13980001 0.81 SCNN1A (0.39) SCNN1A
SCHEMBL12443281 0.81 SCNN1A (0.47) SCNN1A

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-1485360-B1 SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2011-08-17 EP disclosed