SCHEMBL7048441

SCHEMBL7048441

CC(=Nc1ccccc1C)C(C)=Nc1ccccc1C.C[Ni]C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.52
ESR2 Q92731 2/20 0.48
ESR1 P03372 1/20 0.48
GRIN2D O15399 4/20 0.46
GRIN3B O60391 4/20 0.46
GRIN1 Q05586 4/20 0.46
GRIN2A Q12879 4/20 0.46
GRIN2B Q13224 4/20 0.46
GRIN2C Q14957 4/20 0.46
GRIN3A Q8TCU5 4/20 0.46
TSHR P16473 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
ALOX15 P16050 1/20 0.46
EBP Q15125 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
CYP2C9 P11712 1/20 0.42
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL165968 0.93 SIGMAR1 (0.57) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL14816922 0.93 SIGMAR1 (0.57) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL29472024 0.93 SIGMAR1 (0.57) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL165969 0.93 SIGMAR1 (0.57) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL5703535 0.89 SIGMAR1 (0.50) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL6458815 0.87 SIGMAR1 (0.52) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL13727827 0.85 SIGMAR1 (0.50) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL13727830 0.85 SIGMAR1 (0.50) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL13725211 0.85 SIGMAR1 (0.50) SIGMAR1ESR2ESR1GRIN2DGRIN3B
SCHEMBL13725213 0.85 SIGMAR1 (0.50) SIGMAR1ESR2ESR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812185-B2 IMPREGNATION OF A SUPPORT MATERIAL WITH AN IMPREGNATION SOLUTION COMPRISING THE METAL COMPONENT, WHEREIN THE IMPREGNATION SOLUTION FLOWS IN A DIRECTED STREAM THROUGH THE SUPPORT MATERIAL BASELL POLYOLEFINE GMBH (DE) 2004-11-02 US disclosed
US-20030236164-A1 Preparation of a metal-containing supported catalyst or a supported catalyst component by impregnation of a support material EQUISTAR CHEMICALS, LP 2003-12-25 US disclosed
US-6589905-B1 By impregnating a supporting material with an impregnating solution containing the metal constituent, whereby the impregnating solution flows through the supporting material BASELL POLYOLEFINE GMBH (DE) 2003-07-08 US disclosed