SCHEMBL13638855

SCHEMBL13638855

Cc1ccc(C(=O)Nc2cccnc2)c(N=O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.59
CYP11B2 P19099 4/20 0.58
BRAF P15056 1/20 0.55
LRRK2 Q5S007 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CYP11B1 P15538 1/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 2/20 0.53
CSF1R P07333 2/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
SORT1 Q99523 1/20 0.52
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL13638854 0.84 RAB9A (0.62) CYP11B2BRAFLRRK2ALDH1A1RAB9A
SCHEMBL13162000 0.84 CYP11B2 (0.76) NAMPTCYP11B2BRAFLRRK2ALDH1A1
SCHEMBL13162552 0.82 NAMPT (0.62) NAMPTCYP11B2BRAFLRRK2ALDH1A1
SCHEMBL18160285 0.79 CSF1R (0.74) NAMPTCYP11B2LRRK2ALDH1A1HTT
SCHEMBL27928412 0.79 NAMPT (0.58) NAMPTCYP11B2BRAFLRRK2ALDH1A1
SCHEMBL3943800 0.78 BRAF (0.80) NAMPTCYP11B2BRAFCSF1R
SCHEMBL13163086 0.78 SMN1; SMN2 (0.61) NAMPTCYP11B2BRAFLRRK2ALDH1A1
SCHEMBL13638804 0.77 RAB9A (0.62) BRAFLRRK2ALDH1A1RAB9ANPC1
SCHEMBL13947029 0.75 NAMPT (1.00) NAMPTCYP11B2RAB9ANPC1CYP11B1
SCHEMBL31661935 0.74 BRAF (0.79) NAMPTBRAFALDH1A1NPC1CSF1R

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed