SCHEMBL17188705

SCHEMBL17188705

c1ccc(-n2cnc(CCP(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPT P10636 3/20 0.38
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALOX15B O15296 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL17188700 0.79 GABRA1 (0.33) KMT2AHTT
SCHEMBL11592722 0.73 CNR1 (0.44) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4886785 0.73 HPGD (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL20856869 0.73 HPGD (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4886069 0.73 MAPT (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL17188686 0.69 CPB2 (0.41) NPC1RAB9AHTT
SCHEMBL17196887 0.69 NOTUM (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1NOTUM
SCHEMBL17188704 0.67 HRH3 (0.32)
SCHEMBL2210435 0.66 SMN1; SMN2 (0.47) HPGDSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL27343 0.64 CYP3A4 (0.50) TSHRALDH1A1TDP1KDM4EMAPK1

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
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
EP-2933850-A1 Metal complexes as emitter materials cynora GmbH (DE) 2015-10-21 EP disclosed