SCHEMBL21636294

SCHEMBL21636294

Cc1ccc2ncc(Cc3ccc4ccncc4c3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.43
CYP19A1 P11511 2/20 0.41
TBXAS1 P24557 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
RAB9A P51151 1/20 0.38
MELK Q14680 1/20 0.35
F9 P00740 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL23396668 0.95 PDE10A (0.43) PDE10ACYP19A1ALDH1A1RAB9A
SCHEMBL21363718 0.78 CYP19A1 (0.41) PDE10ACYP19A1TBXAS1KLKB1KLK1
SCHEMBL28298891 0.78 CYP19A1 (0.48) PDE10ACYP19A1TBXAS1KLKB1KLK1
SCHEMBL30824503 0.77 CYP2A6 (0.56) CYP19A1TBXAS1ALDH1A1MELKF9
SCHEMBL761399 0.77 CYP2A6 (0.56) CYP19A1TBXAS1ALDH1A1MELKF9
SCHEMBL22685142 0.77 PDE10A (0.42) PDE10ACYP19A1TBXAS1MELKCYP1A2
SCHEMBL21923974 0.76 F9 (0.50) ALDH1A1RAB9AF9CYP1A2
SCHEMBL16274073 0.73 CYP17A1 (0.51) CYP19A1ALDH1A1RAB9ACYP1A2
SCHEMBL6058477 0.73 ALDH1A1 (0.47) PDE10AALDH1A1RAB9ACYP1A2
SCHEMBL17909747 0.73 PDE10A (0.44) PDE10AKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689867-B1 COMPOSITION, ORGANIC SEMICONDUCTOR LAYER AND ELECTRONIC DEVICE NOVALED GMBH (DE) 2021-12-15 EP disclosed
EP-3828951-A1 ORGANIC ELECTRONIC DEVICE AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE AS WELL AS ORGANIC COMPOUNDS FOR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2021-06-02 EP disclosed
WO-2020157204-A1 COMPOSITION, ORGANIC SEMICONDUCTOR LAYER AND ELECTRONIC DEVICE NOVALED GMBH (DE) 2020-08-06 WO disclosed
EP-3689867-A1 COMPOSITION, ORGANIC SEMICONDUCTOR LAYER AND ELECTRONIC DEVICE Novaled GmbH (DE) 2020-08-05 EP disclosed
EP-3643720-A1 ORGANIC COMPOUNDS, ORGANIC SEMICONDUCTOR LAYER AND ORGANIC ELECTRONIC DEVICE Novaled GmbH (DE) 2020-04-29 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