SCHEMBL27890980

SCHEMBL27890980

CCc1ccnc(-c2ccccc2)c1.FC(F)F.[Ir]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 1/20 0.39
WNT3A P56704 1/20 0.39
CTSA P10619 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
FAAH O00519 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
FFAR1 O14842 1/20 0.37
PIM1 P11309 1/20 0.37

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
SCHEMBL10271516 0.92 ASIC3 (0.53) ASIC3NOS3NOS1NOS2LOXL2
Hydrochloric Acid SCHEMBL28148503 0.90 ASIC3 (0.52) ASIC3NOS3NOS1NOS2LOXL2
Dimethyl Sulfoxide SCHEMBL10806279 0.84 ASIC3 (0.46) ASIC3NOS3NOS1NOS2LOXL2
SCHEMBL2483264 0.82 NOS3 (0.44) ASIC3NOS3NOS1NOS2LOXL2
Trifluoromethanesulfonic Acid SCHEMBL14655584 0.82 LOXL2 (0.40) ASIC3NOS3NOS1NOS2LOXL2
SCHEMBL12900062 0.80 IDO1 (0.54) ASIC3NOS3NOS1NOS2LOXL2
SCHEMBL3855108 0.79 ASIC3 (0.47) ASIC3LOXL2HTR1AHTR7PDCD1
Trifluoromethanesulfonic Acid SCHEMBL14655587 0.79 CYP1A2 (0.41) ASIC3NOS3NOS1NOS2LOXL2
Trifluoromethanesulfonic Acid SCHEMBL14655585 0.79 CYP1A2 (0.41) ASIC3NOS3NOS1NOS2LOXL2
SCHEMBL13534468 0.78 NOS3 (0.47) NOS3NOS1NOS2LOXL2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102898477-A Heteroleptic iridium complexes as dopants UNIVERSAL DISPLAY CORP 2013-01-30 CN disclosed