SCHEMBL9185658

SCHEMBL9185658

COc1cc(N(C)C)ccc1C1(c2ccc(N(C)C)cc2)OC(=O)c2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CES2 O00748 2/20 0.37
MAPT P10636 6/20 0.35
APP P05067 4/20 0.35
SNCA P37840 4/20 0.35
PGR P06401 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSD P07339 3/20 0.33

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
SCHEMBL9180534 0.92 ALDH1A1 (0.47) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9185749 0.92 ALDH1A1 (0.47) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9184728 0.90 CYP3A4 (0.53) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9185743 0.89 TDP1 (0.44) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9184646 0.88 ALDH1A1 (0.42) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9185141 0.87 ALDH1A1 (0.39) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9181618 0.87 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9184164 0.84 CYP3A4 (0.47) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9179828 0.84 CYP3A4 (0.47) TDP1CYP3A4ALDH1A1HPGDHIF1A
SCHEMBL9180135 0.84 CYP3A4 (0.56) TDP1CYP3A4ALDH1A1HPGDHIF1A

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
US-5401699-A Thermosensitive elements with color developers, fluoran derivatives and azaphthalides KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-03-28 US disclosed