SCHEMBL19852964

SCHEMBL19852964

NCCCC(CN)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GSR P00390 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
HDAC3 O15379 1/20 0.35
GABBR2 O75899 1/20 0.35
CYP1A2 P05177 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35

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
SCHEMBL7852802 0.81 CA2 (0.72) CPB2CA1CA2GSR
SCHEMBL9796973 0.81 CPB2 (0.47) CPB2CA1CA2GSRRNPEP
SCHEMBL27909371 0.81 CPB2 (0.47) CPB2CA1CA2GSRRNPEP
SCHEMBL4412128 0.81 CA2 (0.72) CA1CA2ALDH1A1
SCHEMBL9817605 0.80 CPB2 (0.68) CPB2CA2GSRRNPEPLMNA
SCHEMBL20328355 0.78
SCHEMBL23658209 0.78 CA2 (0.61) CA1CA2
SCHEMBL7858323 0.75
SCHEMBL7559158 0.75 CA2 (0.69) CPB2CA1CA2GSRRNPEP
SCHEMBL19710550 0.75 CA2 (0.69) CPB2CA1CA2GSRRNPEP

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
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed