SCHEMBL2967466

SCHEMBL2967466

c1ccc(-c2nnn(-c3ccccc3)c2-c2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.54
TDO2 P48775 7/20 0.54
DHODH Q02127 10/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5960134 0.88 IDO1 (0.54) IDO1TDO2DHODHNPC1RAB9A
SCHEMBL15762179 0.83 DHODH (0.44) IDO1TDO2DHODH
SCHEMBL18999363 0.81 DHODH (0.46) IDO1TDO2DHODHNPC1RAB9A
SCHEMBL13325639 0.81 IDO1 (0.48) IDO1TDO2DHODH
SCHEMBL18999414 0.79 DHODH (0.42) IDO1TDO2DHODHNPC1RAB9A
SCHEMBL44422 0.79 NPC1 (0.65) IDO1TDO2DHODHNPC1RAB9A
SCHEMBL17636628 0.78 IDO1 (0.43) IDO1TDO2DHODHNPC1RAB9A
SCHEMBL19003145 0.78 DHODH (0.40) IDO1TDO2DHODHNPC1RAB9A
Hydrochloric Acid SCHEMBL28572130 0.77 NPC1 (0.62) IDO1TDO2DHODHNPC1RAB9A
SCHEMBL17636681 0.77 IDO1 (0.42) IDO1TDO2DHODHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1770799-B1 Organic electrophosphorescence device OSRAM OLED GMBH (DE) 2017-10-04 EP disclosed
US-7772761-B2 Organic electrophosphorescence device having interfacial layers OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-08-10 US disclosed
EP-1770799-A2 Organic electrophosphorescence device Osram Opto Semiconductors GmbH (DE) 2007-04-04 EP disclosed
US-20070069636-A1 Organic electrophosphorescence device OSRAM OLED GMBH (DE) 2007-03-29 US disclosed