SCHEMBL6594969

SCHEMBL6594969

Cc1cc(N(C)C)c2cc(C3=NC(c4ccc5nc(C)cc(N(C)C)c5c4)N(N)C(N4CCN(CCO)CC4)=N3)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TERT O14746 3/20 0.33
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
BRD4 O60885 3/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL6591886 0.93 BRD4 (0.37) BRD4
SCHEMBL4076912 0.91 TLR9 (0.37) TERTTLR9TLR8TLR7BRD4
SCHEMBL4074857 0.90 TERT (0.35) TERTKDM4EALDH1A1TP53MAPT
SCHEMBL4081928 0.90 BRD4 (0.32) TERTKDM4EBRD4HTT
SCHEMBL6594918 0.89 MEN1 (0.37) MEN1KMT2ATERTTLR9TLR8
SCHEMBL4076584 0.87 TERT (0.33) TERTKDM4EROCK2ROCK1
SCHEMBL6607149 0.87 TERT (0.34) KMT2ATERT
SCHEMBL4082014 0.85 ACVR1 (0.34) TERT
SCHEMBL6605139 0.84 TERT (0.33) TERT
SCHEMBL6592153 0.83 BMPR1B (0.38) TERTTLR9TLR8TLR7

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