SCHEMBL6595308

SCHEMBL6595308

Cc1cc(N)c2cc(N(c3ccc4nc(C)cc(N)c4c3)c3nc(Cc4ccccc4)nc(=O)[nH]3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
OPRL1 P41146 4/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
GNG2 P59768 1/20 0.37
GNB1 P62873 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
TERT O14746 1/20 0.35

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
SCHEMBL6594072 0.83 RAC1 (0.40) NCF1OPRL1PDE3BPDE3AALDH1A1
SCHEMBL6597924 0.76 PDE3B (0.39) NCF1PDE3BPDE3AALDH1A1CASP1
SCHEMBL6595121 0.69 RAC1 (0.40) NCF1OPRL1PDE3BPDE3AALDH1A1
SCHEMBL4076953 0.68 ALDH1A1 (0.44) NCF1OPRL1ALDH1A1CASP1CASP7
SCHEMBL6592403 0.67 NCF1 (0.41) NCF1OPRL1ALDH1A1CASP1CASP7
SCHEMBL2777690 0.64 GNG2 (0.56) NCF1OPRL1ALDH1A1CASP1CASP7
Hydrochloric Acid SCHEMBL11307337 0.63 GNG2 (0.55) NCF1OPRL1ALDH1A1CASP1CASP7
SCHEMBL1120035 0.61 NCF1 (1.00) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL29557788 0.61 NCF1 (1.00) NCF1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL28294625 0.61 NR4A2 (0.52) NCF1OPRL1ALDH1A1CASP1CASP7

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 4 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 claimed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO claimed
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