SCHEMBL6594072

SCHEMBL6594072

Cc1cc(N)c2cc(N(c3ccc4nc(C)cc(N)c4c3)c3nc(CCCN(C)C)nc(=O)[nH]3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GNG2 P59768 2/20 0.36
GNB1 P62873 2/20 0.36
MEN1 O00255 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRL1 P41146 3/20 0.36
NCF1 P14598 1/20 0.34
HTT P42858 1/20 0.34
TERT O14746 4/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6595308 0.83 NCF1 (0.40) PDE3BPDE3AALDH1A1CASP1CASP7
SCHEMBL6595121 0.82 RAC1 (0.40) RAC1PDE3BPDE3AALDH1A1CASP1
SCHEMBL6597924 0.76 PDE3B (0.39) PDE3BPDE3AALDH1A1CASP1CASP7
SCHEMBL4083571 0.71 ALDH1A1 (0.46) RAC1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4081931 0.69 TERT (0.37) RAC1NCF1HTTTERTCYP1A2
SCHEMBL6592403 0.65 NCF1 (0.41) ALDH1A1CASP1CASP7HSD17B10GNG2
SCHEMBL6593775 0.65 PDE3B (0.43) PDE3BPDE3AALDH1A1HSD17B10MEN1
SCHEMBL2777690 0.63 GNG2 (0.56) ALDH1A1CASP1CASP7HSD17B10GNG2
Hydrochloric Acid SCHEMBL11307337 0.62 GNG2 (0.55) ALDH1A1CASP1CASP7HSD17B10GNG2
SCHEMBL1289423 0.62 NOS3 (0.39) NCF1CYP1A2CYP2D6

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed