SCHEMBL986833

SCHEMBL986833

CCCC[n+]1ccc(C)cc1.F[B-](F)(F)F.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.68
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CHRM1 P11229 2/20 0.41
ACHE P22303 2/20 0.41
SLC6A2 P23975 2/20 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
SCHEMBL193446 0.98 HTT (0.70) HTTKMT2AMEN1MAPTTP53
SCHEMBL18794949 0.98 HTT (0.70) HTTKMT2AMEN1MAPTTP53
Phosphine SCHEMBL23648835 0.96 HTT (0.68) HTTKMT2AMEN1MAPTTP53
SCHEMBL3118309 0.96 HTT (0.68) HTTKMT2AMEN1MAPTTP53
SCHEMBL986834 0.96 HTT (0.68) HTTKMT2AMEN1MAPTTP53
SCHEMBL3114227 0.96 HTT (0.68) HTTKMT2AMEN1MAPTTP53
SCHEMBL18604187 0.92 HTT (0.81) HTTKMT2AMEN1MAPTTP53
SCHEMBL2149972 0.90 HTT (0.85) HTTKMT2AMEN1MAPTTP53
SCHEMBL18604074 0.90 HTT (0.85) HTTKMT2AMEN1MAPTTP53
SCHEMBL18604253 0.90 HTT (0.85) HTTKMT2AMEN1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718394-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND RADIATION EMITTING STRUCTURAL ELEMENT OSRAM GmbH (DE) 2014-04-16 EP disclosed
EP-2529425-A1 USE OF A GUANIDINIUM CATION IN A LIGHT-EMITTING COMPONENT Osram AG (DE) 2012-12-05 EP disclosed
EP-2528988-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND LIGHT-EMITTING COMPONENT Osram AG (DE) 2012-12-05 EP disclosed
WO-2011088916-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND LIGHT-EMITTING COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2011-07-28 WO disclosed
WO-2011088918-A1 USE OF A GUANIDINIUM CATION IN A LIGHT-EMITTING COMPONENT SIEMENS AKTIENGESELLSCHAFT (DE) 2011-07-28 WO disclosed
WO-2011000616-A1 PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND RADIATION EMITTING STRUCTURAL ELEMENT SIEMENS AKTIENGESELLSCHAFT (DE) 2011-01-06 WO disclosed