SCHEMBL280520

SCHEMBL280520

c1ccc(-c2nc3ccc4ccccc4c3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 7/20 0.54
TNKS2 Q9H2K2 7/20 0.54
PARP1 P09874 4/20 0.54
NPC1 O15118 3/20 0.50
GAA P10253 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
RCE1 Q9Y256 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL26693457 0.81 PTGES (0.51) TNKSTNKS2PARP1NPC1GAA
SCHEMBL29959587 0.81 PTGES (0.51) TNKSTNKS2PARP1NPC1GAA
SCHEMBL1423662 0.76 TNKS (0.56) TNKSTNKS2PARP1NPC1GAA
SCHEMBL17153975 0.74 KIF11 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10644678 0.74 TYMS (0.60) TNKS2PARP1NPC1GAARAB9A
SCHEMBL6654004 0.74 NPC1 (0.49) TNKSTNKS2PARP1NPC1GAA
SCHEMBL6373232 0.74 NPC1 (0.49) TNKSTNKS2PARP1NPC1GAA
SCHEMBL5024094 0.74 MAPT (0.53) TNKSTNKS2PARP1NPC1GAA
SCHEMBL29070667 0.74 NPC1 (0.49) TNKSTNKS2PARP1NPC1GAA
SCHEMBL28052830 0.74 NPC1 (0.49) TNKSTNKS2PARP1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210343943-A1 LIGHT-EMITTING DEVICE, LIGHT-EMITTING APPARATUS, DISPLAY DEVICE, ELECTRONIC APPLIANCE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-11-04 US disclosed
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
WO-2012004765-A2 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 WO disclosed