SCHEMBL8979294

SCHEMBL8979294

O=C(NCl)c1ccccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.65
CHRNB4 P30926 5/20 0.65
CHRNA3 P32297 5/20 0.65
CHRNA4 P43681 5/20 0.65
BCAT2 O15382 1/20 0.57
ALDH1A1 P00352 3/20 0.56
HTT P42858 3/20 0.56
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL8088437 0.85 HNF4A (0.51) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL975666 0.82 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL30930714 0.80 POLB (0.50) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL30345390 0.80 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL3223294 0.80 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL1826396 0.80 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL8089215 0.78 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL11007801 0.78 CHRNB2 (0.72) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
Biphenyl SCHEMBL27596494 0.78 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL1017796 0.78 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1

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-5514740-A SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US disclosed