SCHEMBL14578296

SCHEMBL14578296

CO/N=C(\C)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.58
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 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
SCHEMBL27825259 1.00 GSK3B (0.58) GSK3BMAPTALDH1A1KMT2AMEN1
SCHEMBL12750110 0.89 LMNA (0.48) GSK3BMAPTL3MBTL1LMNAMAPK1
SCHEMBL13514454 0.80 LMNA (0.42) GSK3BMAPTL3MBTL1LMNAMAPK1
SCHEMBL12603677 0.80 CYP1A2 (0.51) MAPTALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL12757030 0.80 CA12 (0.45) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8220014 0.80 LMNA (0.42) GSK3BMAPTL3MBTL1LMNAMAPK1
SCHEMBL16440164 0.80 CYP1A2 (0.51) MAPTALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL6815200 0.80 CYP1A2 (0.51) MAPTALDH1A1KMT2AL3MBTL1RAB9A
SCHEMBL16322214 0.80 CA12 (0.45) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7855930 0.78 LMNA (0.41) GSK3BMAPTL3MBTL1LMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed