SCHEMBL13620745

SCHEMBL13620745

N=C(NCCCCc1ccc2cc(O)ccc2c1)NC(=O)c1nc(I)c(N)nc1N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.42
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1A1 P14550 1/20 0.35
CBR1 P16152 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
XDH P47989 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL707971 0.89 SCNN1A (0.55) SCNN1A
SCHEMBL12442498 0.84 SCNN1A (0.41) SCNN1A
SCHEMBL12443281 0.81 SCNN1A (0.47) SCNN1A
SCHEMBL12443046 0.81 SCNN1A (0.55) SCNN1A
SCHEMBL12442490 0.81 SCNN1A (0.55) SCNN1A
SCHEMBL12442500 0.80 SCNN1A (0.41) SCNN1A
SCHEMBL15839506 0.80 SCNN1A (0.39) SCNN1A
SCHEMBL10028705 0.80 SCNN1A (0.65) SCNN1A
SCHEMBL13979964 0.80 SCNN1A (0.40) SCNN1A
SCHEMBL14252050 0.79 SCNN1A (0.50) 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
WO-2009139948-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS JOHNSON MICHAEL R (US) 2009-11-19 WO disclosed