SCHEMBL4622262

SCHEMBL4622262

Cc1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1Br.Nc1cc(-c2ccc3c(c2)CCC(=O)N3)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
MMP12 P39900 1/20 0.47
RAB9A P51151 1/20 0.47
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
TBXAS1 P24557 1/20 0.47
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45

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
SCHEMBL4889006 0.92 KIF11 (0.57) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4896377 0.92 KIF11 (0.57) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4609019 0.76 KIF11 (0.57) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4607881 0.76 KIF11 (0.61) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL14154399 0.76 KIF11 (0.57) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4596554 0.75 KIF11 (0.68) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4594845 0.75 KIF11 (0.68) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL14865934 0.75 KIF11 (0.68) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4596381 0.74 KIF11 (0.45) KIF11PDE3BPDE3AMAPTALDH1A1
SCHEMBL4888989 0.73 KIF11 (0.68) KIF11PDE3BPDE3AMAPTALDH1A1

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
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed