SCHEMBL6989607

SCHEMBL6989607

CC(C)(CNC(=O)c1ccc(I)cc1)CNS(=O)(=O)Nc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SLC2A1 P11166 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL6988058 0.91 CYP11B1 (0.53) NAMPTRAB9ANPC1ALDH1A1SLC2A1
SCHEMBL6615774 0.76 NAMPT (0.47) NAMPTRAB9ANPC1SMN1; SMN2TRPV1
SCHEMBL6989605 0.76 ABCC9 (0.53) NAMPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6615371 0.72 ABCC9 (0.64) NAMPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6612614 0.72 CYP11B1 (0.54) NAMPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6612270 0.71 CYP11B1 (0.53) NAMPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6612030 0.71 NAMPT (0.62) NAMPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6643209 0.71 CYP11B1 (0.58) NAMPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6614923 0.70 NAMPT (0.58) NAMPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7736678 0.70 CYP11B1 (0.51) NAMPTRAB9ANPC1SMN1; SMN2LMNA

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed