SCHEMBL5961935

SCHEMBL5961935

C=Cc1cccnc1.[Li]Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP11B2 P19099 3/20 0.52
CYP11B1 P15538 1/20 0.52
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP19A1 P11511 2/20 0.46
KDM4E B2RXH2 1/20 0.46
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
VCP P55072 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
G6PD P11413 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL20995 0.93
SCHEMBL29522900 0.93
Hydrochloric Acid SCHEMBL1389458 0.91
Bromide SCHEMBL27867752 0.91
SCHEMBL27985473 0.91
Iodide SCHEMBL11295890 0.91
Bromide SCHEMBL1389398 0.91
Butadiene SCHEMBL4378692 0.89 ALDH1A1 (0.54) ALDH1A1CYP11B2CYP11B1MAPTRAB9A
Styrene SCHEMBL10710522 0.87 CYP11B2 (0.63) ALDH1A1CYP11B2CYP11B1MAPTRAB9A
Pyridine SCHEMBL28226174 0.87 CYP11B2 (0.57) ALDH1A1CYP11B2CYP11B1MAPTRAB9A

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-7091293-B2 Stereoregular polar vinyl polymers and methods of making the same NORTH CAROLINA STATE UNIVERSITY (US) 2006-08-15 US disclosed
US-20050176904-A1 Stereoregular polar vinyl polymers and methods of making the same NORTH CAROLINA STATE UNIVERSITY 2005-08-11 US disclosed
EP-1511777-A1 STEREOREGULAR POLAR VINYL POLYMERS AND METHODS OF MAKING THE SAME North Carolina State University (US) 2005-03-09 EP disclosed
WO-2003099878-A1 STEREOREGULAR POLAR VINYL POLYMERS AND METHODS OF MAKING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-04 WO disclosed