SCHEMBL7868922

SCHEMBL7868922

Cc1cc2c(cc1Nc1ccccc1)Cc1ccc(NC(C)CCC(C)C)cc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.40
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
ALOX12 P18054 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.31
HDAC1 Q13547 1/20 0.31
MAPT P10636 3/20 0.31
PPARG P37231 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7868928 0.82 GAA (0.34) HSD17B10CYP3A4ALDH1A1ALOX15TSHR
SCHEMBL30572811 0.78 GAA (0.38) HSD17B10CYP3A4ALDH1A1GAALMNA
SCHEMBL29068477 0.78 GAA (0.38) HSD17B10CYP3A4ALDH1A1GAALMNA
SCHEMBL29068460 0.77 CYP1A2 (0.37) HSD17B10CYP3A4HIF1AGAACYP1A2
SCHEMBL30572823 0.77 CYP1A2 (0.37) HSD17B10CYP3A4HIF1AGAACYP1A2
SCHEMBL28931292 0.77 MAPT (0.35) HSD17B10CYP3A4ALDH1A1ALOX15TSHR
SCHEMBL30572820 0.76 CYP1A2 (0.39) HSD17B10CYP3A4ALDH1A1ALOX12MAPK1
SCHEMBL7868925 0.76 CYP1A2 (0.39) HSD17B10CYP3A4ALDH1A1ALOX12MAPK1
SCHEMBL30043223 0.76 CYP1A2 (0.39) HSD17B10CYP3A4ALDH1A1ALOX12MAPK1
SCHEMBL10932393 0.74 GAA (0.38) ALDH1A1MAPK1GAALMNAATM

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-6303259-B1 FOR COLOR DUPLICATORS, COLOR PRINTERS, ETC MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2001-10-16 US disclosed