SCHEMBL6595130

SCHEMBL6595130

Clc1nc(Cl)nc(N2CCN(C3CCCC3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
CCR4 P51679 2/20 0.40
ACHE P22303 2/20 0.39
GAA P10253 1/20 0.38
SORD Q00796 1/20 0.38
HRH1 P35367 1/20 0.38
CYP11B2 P19099 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
PTPN11 Q06124 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9418612 0.79 SORD (0.49) SORDHRH1MEN1ALDH1A1MAPK1
SCHEMBL9336873 0.75 HRH1 (0.50) SORDHRH1MEN1ALDH1A1MAPK1
SCHEMBL2242665 0.73 SMN1; SMN2 (0.52) SORDHRH1MEN1ALDH1A1MAPK1
SCHEMBL778332 0.73 SMN1; SMN2 (0.52) SORDHRH1MEN1ALDH1A1MAPK1
SCHEMBL9073359 0.71 HRH1 (0.56) HRH1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL12903094 0.70 KMT2A (0.55) HRH3HRH4KMT2A
SCHEMBL19034085 0.69
SCHEMBL13942560 0.69 PHGDH (0.52) HRH3MEN1ALDH1A1KMT2A
SCHEMBL25401723 0.69 PDE10A (0.38) SORDALDH1A1KMT2A
SCHEMBL21954045 0.69 HRH1 (0.50) HRH3HRH1CYP11B2ALDH1A1KMT2A

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