SCHEMBL21557097

SCHEMBL21557097

Nc1c2ccc3ccccc3c2nc2c1ccc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.50
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 5/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAOA P21397 2/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
NQO2 P16083 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL18650753 0.88 ACHE (0.63) HPRT1ALDH1A1HSD17B10HPGDTDP1
SCHEMBL15321892 0.78 CYP1A2 (0.53) HPRT1ALDH1A1HSD17B10HPGDTDP1
SCHEMBL22653085 0.77 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10HPGDTDP1
SCHEMBL20080996 0.77 HPRT1 (0.50) HPRT1ALDH1A1HSD17B10HPGDTDP1
SCHEMBL18650741 0.77 MAPT (0.56) HPRT1ALDH1A1HSD17B10TDP1MAOA
SCHEMBL16232699 0.77 MAOA (0.66) HPRT1ALDH1A1HSD17B10HPGDTDP1
SCHEMBL11329578 0.77 PRMT5 (0.56) HPRT1ALDH1A1HSD17B10HPGDTDP1
SCHEMBL15004492 0.76 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10TDP1MAOA
SCHEMBL15004489 0.74 HPRT1 (0.46) HPRT1ALDH1A1HSD17B10TDP1MAOA
SCHEMBL14993704 0.74 ESR1 (0.47) HPRT1ALDH1A1HSD17B10TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790875-B1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2024-07-03 EP disclosed
WO-2021116225-A1 ACRIDINE COMPOUND AND ORGANIC SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2021-06-17 WO disclosed
EP-3835295-A1 ACRIDINE COMPOUND AND ORGANIC SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2021-06-16 EP disclosed
WO-2021058761-A1 FIRST AND SECOND ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2021-04-01 WO disclosed
EP-3798213-A1 ORGANIC SEMICONDUCTOR LAYER, ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME AND COMPOUNDS THEREFOR Novaled GmbH (DE) 2021-03-31 EP disclosed
EP-3799143-A1 FIRST AND SECOND ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2021-03-31 EP disclosed
WO-2020016233-A1 COMPOUND AND ORGANIC SEMICONDUCTING LAYER, ORGANIC ELECTRONIC DEVICE, DISPLAY DEVICE AND LIGHTING DEVICE COMPRISING THE SAME NOVALED GMBH (DE) 2020-01-23 WO disclosed
WO-2019215179-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES NOVALED GMBH (DE) 2019-11-14 WO disclosed
EP-3567039-A1 N-HETEROARYLENE COMPOUNDS WITH LOW LUMO ENERGIES Novaled GmbH (DE) 2019-11-13 EP disclosed