SCHEMBL8733938

SCHEMBL8733938

C1=C(c2nc3cc(-c4ccc5[nH]c(C6=CCCCC6)nc5c4)ccc3[nH]2)CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
PSMB5 P28074 5/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
ACMSD Q8TDX5 1/20 0.35
ELANE P08246 1/20 0.35
MEN1 O00255 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL12506479 0.90 MAP3K8 (0.37) TDP1PSMB5DRD2DRD4DRD3
SCHEMBL13197036 0.85 PSMB5 (0.50) PSMB5DRD2DRD4DRD3ALDH1A1
SCHEMBL19128470 0.77 RHEB (0.47) ALDH1A1MAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL7778748 0.74 PSMB5 (0.34) TDP1PSMB5DRD2DRD4DRD3
SCHEMBL1325061 0.72 ALDH1A1 (0.34) TDP1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL12942761 0.69 SCD (0.65)
SCHEMBL9835819 0.69 PDE3B (0.52) PSMB5DRD2DRD4DRD3ALDH1A1
SCHEMBL2745183 0.69 PDGFRB (0.32) DRD2DRD4DRD3
SCHEMBL9737184 0.69 MAPK13 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL57009 0.68 POLB (0.57) ALDH1A1MAPTHPGDSMN1; SMN2HSD17B10

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
EP-0885870-A1 Carbonylation process BP Chemicals Limited (GB) 1998-12-23 EP disclosed