SCHEMBL5592998

SCHEMBL5592998

CSc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP2C19 P33261 3/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
NPC1 O15118 1/20 0.49
PTBP1 P26599 1/20 0.49
HTT P42858 1/20 0.49
TNFSF10 P50591 1/20 0.49
RAB9A P51151 1/20 0.49
ADORA3 P0DMS8 3/20 0.47
AGTR1 P30556 1/20 0.47
MGAM O43451 3/20 0.47
GAA P10253 3/20 0.47

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
SCHEMBL5593047 0.91 ALDH1A1 (0.57) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL5593176 0.88 MAPT (0.52) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL19805930 0.83 SDHB (0.57) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL5593040 0.83 MEN1 (0.46) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL9864818 0.82 LMNA (0.46) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL5592977 0.82 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1KDM4ECYP2C19
SCHEMBL13133556 0.81 MAPT (0.58) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL13231715 0.80 MEN1 (0.61) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL5593111 0.78 MAPT (0.57) MAPTKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL12264966 0.78 MAPT (0.59) MAPTKMT2AALDH1A1MEN1L3MBTL1

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-2007074238-A2 NOVEL N-ALK-(E)-YLIDENE-N'-PYRIMIDIN-2-YL HYDRAZINE DERIVATIVES AND USE THEREOF AS CYTOPROTECTIVE DRUGS TROPHOS (FR) 2007-07-05 WO disclosed