SCHEMBL17196485

SCHEMBL17196485

c1ccc(C[N@]2C[N@]2Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.56
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
ELANE P08246 1/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
CTRC Q99895 1/20 0.48
MC4R P32245 1/20 0.46
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD4 P21917 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MGLL Q99685 1/20 0.44

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
SCHEMBL17253779 0.83 CYP11B1 (0.51) SIGMAR1CYP19A1DRD4
SCHEMBL31288959 0.80 MC4R (0.50) SIGMAR1F2PLGELANECTSG
SCHEMBL1639911 0.78 SIGMAR1 (0.71) SIGMAR1MC4RALDH1A1DRD4LMNA
SCHEMBL4448723 0.76 SIGMAR1 (0.68) SIGMAR1MC4RALDH1A1MEN1KMT2A
SCHEMBL1044027 0.74 SIGMAR1 (0.52) SIGMAR1F2PLGELANECTSG
SCHEMBL16786536 0.74 SIGMAR1 (0.58) SIGMAR1F2PLGELANECTSG
SCHEMBL301699 0.74 SIGMAR1 (0.81) SIGMAR1MC4RKMT2ADRD4LMNA
Hydrochloric Acid SCHEMBL1071013 0.74 SIGMAR1 (0.65) SIGMAR1MC4RALDH1A1DRD4LMNA
SCHEMBL7341302 0.74 SIGMAR1 (0.46) SIGMAR1F2PLGELANECTSG
SCHEMBL6428275 0.74 SIGMAR1 (0.52) SIGMAR1MC4RL3MBTL1DRD4LMNA

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
WO-2016060516-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-21 WO disclosed
WO-2015178732-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-26 WO disclosed
WO-2015160224-A1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-10-22 WO disclosed