SCHEMBL13017779

SCHEMBL13017779

COc1c(-n2nc3ccc(-c4ccccc4)cc3n2)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDR P35968 1/20 0.32
TNFRSF1A P19438 1/20 0.32
DHODH Q02127 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 1/20 0.31
HTT P42858 1/20 0.31
KIF11 P52732 1/20 0.31
PTGS2 P35354 1/20 0.30
RARG P13631 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
STAT1 P42224 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3537498 0.88 HTT (0.40) ADORA2AADORA1TNFRSF1APPARGPPARA
SCHEMBL22606176 0.83 CYP1A2 (0.40) RXRARXRBPTGS2NPC1RAB9A
SCHEMBL12199846 0.82 NR1I2 (0.34) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL3533044 0.79 MEN1 (0.35) PPARGRXRAPTGS2RARGMEN1
SCHEMBL5649816 0.78 CYP3A4 (0.39) KDRHTTNPC1MAPTRAB9A
SCHEMBL24236671 0.78 NPC1 (0.36) RXRARXRBPTGS2NPC1RAB9A
SCHEMBL24236672 0.78 NPC1 (0.36) RXRARXRBPTGS2NPC1RAB9A
SCHEMBL12706079 0.77 SMN1; SMN2 (0.37) HTTKIF11KDM4EMEN1NPC1
SCHEMBL17126927 0.74 HTT (0.37) PPARGPPARAHTTKDM4ENPC1
SCHEMBL3538164 0.73 PTGS2 (0.31) TNFRSF1APPARGRXRAPTGS2RARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265092-B1 Electroluminescent device UDC IRELAND LTD (IE) 2018-03-14 EP disclosed
EP-1520450-B1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2017-08-02 EP disclosed
EP-2265092-A1 Electroluminescent device Ciba Holding Inc. (CH) 2010-12-22 EP disclosed
US-7541096-B2 Blue emitting, durable, organoelectrouminescent layers containing 2H-benzotriazole compounds; full color display panels; light emission efficiency and brightness CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-02 US disclosed
US-7541096-B2 Blue emitting, durable, organoelectrouminescent layers containing 2H-benzotriazole compounds; full color display panels; light emission efficiency and brightness CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-02 US disclosed