SCHEMBL13801957

SCHEMBL13801957

Oc1nc2cc3scnc3cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.40
RAB9A P51151 10/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HKDC1 Q2TB90 1/20 0.40
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KLK7 P49862 1/20 0.35
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4296143 0.78 ALDH1A1 (0.52) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL19268435 0.77 NPC1 (0.41) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL10045602 0.77 SMN1; SMN2 (0.61) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL6031739 0.73 NPC1 (0.46) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL4560336 0.71 ALDH1A1 (0.50) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL20418059 0.68 NPC1 (0.33) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL21155441 0.67 DYRK1A (0.42) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL13734473 0.67 NPC1 (0.41) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL19988679 0.67 DYRK1A (0.42) NPC1RAB9AL3MBTL1KDM4ETDP1
SCHEMBL15834699 0.67 DYRK1A (0.42) NPC1RAB9AL3MBTL1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2005497-B1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS BASF SE (DE) 2014-10-08 EP disclosed
EP-2573833-A1 Organic semiconductors, their manufacture and semiconductor devices comprising them BASF SE (DE) 2013-03-27 EP disclosed
WO-2009077349-A1 PROCESS FOR THE PREPARATION OF SEMICONDUCTING LAYERS BASF SE (DE) 2009-06-25 WO disclosed
WO-2007118799-A1 QUINOID SYSTEMS AS ORGANIC SEMICONDUCTORS CIBA HOLDING INC. (CH) 2007-10-25 WO disclosed
WO-2007068618-A1 ORGANIC SEMICONDUCTORS AND THEIR MANUFACTURE CIBA HOLDING INC. (CH) 2007-06-21 WO disclosed