SCHEMBL9388486

SCHEMBL9388486

N#CCCNc1nc(NCCC#N)nc(NCCC#N)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
GAA P10253 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
PLAU P00749 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
TERT O14746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL8630915 0.84 THRB (0.37) THRBGAAALDH1A1HTTPLAU
SCHEMBL11117673 0.84 THRB (0.41) THRBGAAALDH1A1HTTPLAU
SCHEMBL11686946 0.84 LMNA (0.43) THRBGAAALDH1A1HTTPLAU
SCHEMBL8365502 0.84 CA1 (0.39) THRBGAAALDH1A1HTTPLAU
SCHEMBL9914993 0.77 TSHR (0.48) ALDH1A1CYP1A2CYP2C19
SCHEMBL4235972 0.75 GAA (0.42) THRBGAAALDH1A1HTTPLAU
SCHEMBL8422579 0.74 LMNA (0.61) ALDH1A1CYP1A2CYP2C19
SCHEMBL7718128 0.72 THRB (0.36) THRBGAAALDH1A1HTT
SCHEMBL9393514 0.72 LMNA (0.39) GAAALDH1A1HTTCYP1A2CYP2C19
SCHEMBL29326030 0.71 THRB (0.39) THRBGAAALDH1A1HTTPLAU

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
WO-1994006781-A1 NEW COMPOUNDS FOR USE IN THE TREATMENT OF CANCER INSTITUTE OF CANCER RESEARCH (GB) 1994-03-31 WO disclosed