SCHEMBL5481769

SCHEMBL5481769

C=CCc1ccc2c(Br)c(CC=C)ccc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
XDH P47989 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX5 P09917 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
SCHEMBL7924277 0.80 POLB (0.46) GABRA1GABRB2MAPTPOLBALDH1A1
SCHEMBL11306575 0.78 GABRA1 (0.54) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL16933817 0.73 GABRA1 (0.48) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL5615222 0.71 GABRA1 (0.57) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL9387535 0.71 GABRA1 (0.44) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL5831736 0.70 GABRA1 (0.45) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL8792042 0.70 GABRA1 (0.46) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL9581808 0.70 GABRA1 (0.55) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL4338851 0.70 MEN1 (0.37) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL8665741 0.70 LMNA (0.41) GABRA1GABRB2MAPTMEN1KMT2A

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-20070287821-A1 Synthesis of Polynaphthalenes and Their Use BASF AKTIENGESELLSCHAFT (DE) 2007-12-13 US disclosed