SCHEMBL6338669

SCHEMBL6338669

Cc1cc(N)c2cc(N(c3ccc4nc(C)cc(N)c4c3)c3ncnc(Oc4ccc(Cl)cc4)n3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.48
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR4A2 P43354 1/20 0.41
DOT1L Q8TEK3 1/20 0.40
SCN9A Q15858 1/20 0.37
SLC2A1 P11166 2/20 0.36
NCF1 P14598 1/20 0.35
MEN1 O00255 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
GNG2 P59768 1/20 0.34
GNB1 P62873 1/20 0.34
KMT2A Q03164 1/20 0.34
EHMT2 Q96KQ7 1/20 0.34
TERT O14746 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
SCHEMBL4077118 0.91 ALDH1A1 (0.45) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4079070 0.89 ALDH1A1 (0.44) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL6346659 0.80 OPRL1 (0.42) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4076953 0.78 ALDH1A1 (0.44) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4083571 0.78 ALDH1A1 (0.46) OPRL1ALDH1A1CASP1CASP7HSD17B10
SCHEMBL4081856 0.76 TERT (0.36) TERT
SCHEMBL440491 0.69 NR4A2 (0.74) ALDH1A1CASP1CASP7HSD17B10NR4A2
SCHEMBL27906713 0.68 ALDH1A1 (0.65) ALDH1A1CASP1CASP7HSD17B10DOT1L
SCHEMBL4077095 0.67 TERT (0.63) DOT1LTERT
SCHEMBL4076941 0.67 NCF1 (0.41) OPRL1ALDH1A1CASP1CASP7HSD17B10

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
US-6887873-B2 Triazine derivatives and their application as antitelomerase agents AVENTIS PHARMA S.A. (FR) 2005-05-03 US claimed