SCHEMBL9679707

SCHEMBL9679707

Cc1[nH]c2ccccc2c1C1(c2ccc(N(C)C)cc2)OC(=O)c2ccccc21.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3ccc(N(C)C)cc32)c2ccccc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 5/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 5/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.32
ESR1 P03372 1/20 0.32
TYMS P04818 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL11599532 0.91 TDP1 (0.41) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL8042954 0.87 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL395450 0.86 TDP1 (0.50) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL29385861 0.86 TDP1 (0.50) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL8009686 0.86 KDM4E (0.41) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL29383061 0.85 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL337223 0.85 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL1345090 0.84 HPGD (0.43) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL29411207 0.84 HPGD (0.43) ALDH1A1TDP1CYP3A4HSD17B10HPGD
SCHEMBL10689953 0.82 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4HSD17B10HPGD

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-5173472-A Substrate coated with a recording layer containing a light-colored or colorless basic dye, a color acceptor and an adhesive containing vinyl acetate-vinyl alcohol copolymer and a modified starch KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-12-22 US disclosed