SCHEMBL17596188

SCHEMBL17596188

CCc1c(C(=O)OC)cc2cccnc2c1-c1ccc(SC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
NPC1 O15118 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL17596177 0.86 NPC1 (0.42) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL17596559 0.75 PDE4A (0.43) PDE4ANPC1MEN1KMT2AALDH1A1
SCHEMBL17596451 0.72 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL17595923 0.71 TDP1 (0.47) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL17596128 0.71 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL17596123 0.69 NPC1 (0.40) PDE4ANPC1MEN1KMT2ARAB9A
SCHEMBL24338474 0.68 KDM4E (0.50) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL5749934 0.67 TDP1 (0.72) MEN1KMT2AALDH1A1RAB9AL3MBTL1
SCHEMBL14820334 0.66 KMT2A (0.53) NPC1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL17595920 0.66 ALDH1A1 (0.44) PDE4ANPC1MEN1KMT2AALDH1A1

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-3191465-A1 HERBICIDAL QUINOLINES Syngenta Participations AG (CH) 2017-07-19 EP disclosed
WO-2016038173-A1 HERBICIDAL QUINOLINES SYNGENTA PARTICIPATIONS AG (CH) 2016-03-17 WO disclosed