SCHEMBL28296509

SCHEMBL28296509

NC(=O)Nc1ccc(SSc2ccc(NC(N)=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.61
ALDH1A1 P00352 3/20 0.59
NPC1 O15118 1/20 0.59
KIF11 P52732 6/20 0.58
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
GFER P55789 1/20 0.55
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
GLA P06280 1/20 0.48
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL5062623 0.85 PEPD (0.80) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL2755846 0.83 PEPD (0.57) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL16802908 0.82 PEPD (0.61) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL11740524 0.78 SMN1; SMN2 (0.59) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL5531054 0.78 KIF11 (0.90) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL5026270 0.77 SMN1; SMN2 (0.64) ALDH1A1NPC1MAPTGAAMEN1
SCHEMBL11777446 0.77 KIF11 (0.71) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL6879129 0.76 MAPT (0.70) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL1322717 0.76 PEPD (1.00) PEPDALDH1A1NPC1KIF11MAPT
SCHEMBL5536751 0.76 PEPD (0.67) PEPDALDH1A1NPC1KIF11MAPT

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
CN-109790127-A Compound with nitrogenous associative groups 阿肯马法国公司 2019-05-21 CN disclosed