SCHEMBL4823456

SCHEMBL4823456

O=[N+]([O-])c1ccnc(-c2cc(C(F)(F)F)ccc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
KIF11 P52732 2/20 0.41
KDM1A O60341 1/20 0.41
TLR2 O60603 3/20 0.40
TLR1 Q15399 3/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 1/20 0.40
NOX1 Q9Y5S8 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL4819036 0.76 MPL (0.49) MPLKDM1AALDH1A1
SCHEMBL2658617 0.75 ALDH1A1 (0.45) ALDH1A1HIF1AMAPT
SCHEMBL25335900 0.74 PIK3CA (0.58)
SCHEMBL30554566 0.74 PIK3CA (0.58)
SCHEMBL826630 0.74 TSHR (0.50) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL25372192 0.73 MEN1 (0.44) KIF11TLR2TLR1ALDH1A1KDM4E
SCHEMBL14106061 0.72 MPL (0.46) MPLKDM1AALDH1A1SCN9AKDM4E
SCHEMBL2653522 0.72 CCR1 (0.49) ALDH1A1HIF1AMAPT
SCHEMBL30503070 0.71 MAPT (0.51) ALDH1A1HIF1AKDM4EMAPTNPSR1
SCHEMBL2646693 0.71 MAPT (0.51) ALDH1A1HIF1AKDM4EMAPTNPSR1

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
US-7402345-B2 Electroluminescent iridium compounds with fluorinated phenylpyridine ligands, and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-7402345-B2 Electroluminescent iridium compounds with fluorinated phenylpyridine ligands, and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-7402345-B2 Electroluminescent iridium compounds with fluorinated phenylpyridine ligands, and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-22 US disclosed
US-20060054861-A1 Electroluminescent iridium compounds with fluorinated phenylpyridine ligands, and devices made with such compounds E. I. DU PONT DE NEMOURS AND COMPANY 2006-03-16 US disclosed