SCHEMBL6595121

SCHEMBL6595121

Cc1cc(N)c2cc(N(c3ccc4nc(C)cc(N)c4c3)c3nc(CCCN(C)C)[nH]c(=O)n3)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 2/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NCF1 P14598 1/20 0.34
TERT O14746 5/20 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
SCHEMBL6594072 0.82 RAC1 (0.40) RAC1PDE3BPDE3AALDH1A1CASP1
SCHEMBL4083571 0.73 ALDH1A1 (0.46) RAC1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL6597924 0.69 PDE3B (0.39) PDE3BPDE3AALDH1A1CASP1CASP7
SCHEMBL4081931 0.69 TERT (0.37) RAC1NCF1TERTHTTCYP1A2
SCHEMBL6595308 0.69 NCF1 (0.40) PDE3BPDE3AALDH1A1CASP1CASP7
SCHEMBL6592661 0.63 TERT (0.46) ALDH1A1CASP1CASP7HSD17B10GNG2
SCHEMBL2777690 0.63 GNG2 (0.56) ALDH1A1CASP1CASP7HSD17B10GNG2
SCHEMBL6646167 0.62 PARP1 (0.72) ALDH1A1MEN1KMT2AHTTCYP2C9
Hydrochloric Acid SCHEMBL11307337 0.62 GNG2 (0.55) ALDH1A1CASP1CASP7HSD17B10GNG2
SCHEMBL2775377 0.62 GNG2 (0.48) ALDH1A1CASP1CASP7HSD17B10GNG2

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