SCHEMBL17196887

SCHEMBL17196887

c1ccc(-n2cc(CCP(c3ccccc3)c3ccccc3)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.57
MAOA P21397 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
MIF P14174 2/20 0.46
CD74 P04233 1/20 0.46
NPC1 O15118 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
KDM1A O60341 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL16401559 0.77 NOTUM (0.74) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL12601113 0.77 NOTUM (0.64) NOTUMMAOAL3MBTL1DRD2DRD4
Bromide SCHEMBL1894577 0.76 NOTUM (0.62) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL15057639 0.73 NOTUM (0.63) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL16284856 0.73 NOTUM (0.58) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL3777938 0.73 NOTUM (0.68) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL2821461 0.73 NOTUM (1.00) NOTUMMAOAL3MBTL1P2RX7
SCHEMBL16401577 0.73 NOTUM (1.00) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL4434629 0.73 NOTUM (0.68) NOTUMMAOAL3MBTL1DRD2DRD4
SCHEMBL3614213 0.73 NOTUM (0.68) NOTUMMAOAL3MBTL1DRD2DRD4

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-3132475-B1 METAL COMPLEXES AS EMITTER MATERIALS CYNORA GMBH (DE) 2018-03-28 EP disclosed
WO-2015158693-A1 METAL COMPLEXES AS EMITTER MATERIALS CYNORA GMBH (DE) 2015-10-22 WO disclosed