SCHEMBL13714580

SCHEMBL13714580

Nc1nc(-c2cccs2)cn1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 9/20 0.53
MAPT P10636 6/20 0.53
HSD17B10 Q99714 6/20 0.53
NPC1 O15118 6/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PKM P14618 1/20 0.53
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 7/20 0.49
TP53 P04637 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49

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
SCHEMBL13579042 0.73 KDM4E (0.51) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL13743171 0.71 HSD17B10 (0.45) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL3860803 0.70 CYP3A4 (0.47) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL3074458 0.69 HSD17B10 (1.00) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL27733015 0.69 KDM4E (0.65) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL2587900 0.69 KDM4E (0.50) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL12973890 0.68 MEN1 (0.53) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL498897 0.68 KDM4E (1.00) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL10535958 0.67 NPC1 (0.56) KDM4EALDH1A1MAPTHSD17B10NPC1
SCHEMBL3059145 0.67 NPC1 (0.56) KDM4EALDH1A1MAPTHSD17B10NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569596-B2 Imidazolamino compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-08-04 US disclosed
US-7569596-B2 Imidazolamino compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-08-04 US disclosed
US-7462723-B2 Imidazolamino compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-09 US disclosed
US-7462723-B2 Imidazolamino compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-09 US disclosed