SCHEMBL327490

SCHEMBL327490

Bc1ccc(CO)cc1N=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CA3 P07451 1/20 0.33
PLAU P00749 1/20 0.32
EGFR P00533 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CA1 P00915 1/20 0.31
TYR P14679 1/20 0.31
ENPP2 Q13822 1/20 0.31
CHEK1 O14757 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL14081639 0.82
SCHEMBL12723884 0.78 EGFR (0.43) RECQLCA2CA12CA4CA6
SCHEMBL10281647 0.76 CYP4F2 (0.46) RECQLCA2CA12CA4CA6
SCHEMBL28235395 0.76 CYP3A4 (0.37) CA2CA12CA4CA6CA5A
SCHEMBL15202716 0.74 EGFR (0.38) CA2CA12CA4CA6CA5A
SCHEMBL21303408 0.72 CYP4F2 (0.42) RECQLCA2CA12CA4CA6
SCHEMBL12510495 0.72 TTR (0.43) CA2CYP4F2CYP4A11TSHRTTR
SCHEMBL12693312 0.70 ALDH1A1 (0.34) TSHR
SCHEMBL28201373 0.69 ALDH1A1 (0.37) RECQLCYP4F2CYP4A11TYRTSHR
SCHEMBL13498242 0.68 CYP4F2 (0.39) CA2CA12CA4CA6CA5A

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
US-8134143-B2 2,7-carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-03-13 US disclosed