SCHEMBL359377

SCHEMBL359377

CN(CCN(C)Cc1cc(Cl)cc(Cl)c1O)Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 2/20 0.52
CYP2C9 P11712 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
CYP2C19 P33261 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HIF1A Q16665 2/20 0.49
THRB P10828 2/20 0.43
MEN1 O00255 2/20 0.43
BLM P54132 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12505627 0.88 CDC25C (0.47) CDC25CCYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL3352438 0.80 CDC25C (0.60) CDC25CTHRBMEN1BLMKMT2A
SCHEMBL15347383 0.78 CDC25C (0.57) CDC25CTHRBMEN1BLMKMT2A
SCHEMBL25197556 0.77 CDC25C (0.55) CDC25CTHRBMEN1BLMKMT2A
SCHEMBL10417384 0.75 L3MBTL1 (0.55) CDC25CTHRBMEN1KMT2ATDP1
SCHEMBL12505628 0.73 CA12 (0.54) CDC25CCYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL25206989 0.73 CDC25C (0.54) CDC25CCYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL15283303 0.72 ALDH1A1 (0.56) CDC25CTHRBMEN1KMT2AL3MBTL1
SCHEMBL25192617 0.72 CDC25C (0.49) CDC25CTHRBMEN1KMT2AL3MBTL1
SCHEMBL7492893 0.71 ALDH1A1 (0.48) CDC25CCYP1A2HIF1ATHRBMEN1

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-2012007948-A2 CYTOTOXIC Ti (IV) COMPOUNDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2012-01-19 WO claimed