SCHEMBL1401079

SCHEMBL1401079

CC(C)Nc1ccc(Nc2ccccc2)cc1.Nc1ccc(N)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
HSD17B10 Q99714 5/20 0.81
ALOX12 P18054 4/20 0.81
TDP1 Q9NUW8 4/20 0.81
ALOX15 P16050 4/20 0.81
CYP3A4 P08684 3/20 0.81
L3MBTL1 Q9Y468 3/20 0.81
TSHR P16473 3/20 0.81
LMNA P02545 2/20 0.81
THRB P10828 1/20 0.81
RECQL P46063 1/20 0.81
ATM Q13315 1/20 0.81
MAPT P10636 6/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HTT P42858 1/20 0.69
MAPK1 P28482 2/20 0.53
HIF1A Q16665 1/20 0.53
KCNH3 Q9ULD8 4/20 0.50

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
SCHEMBL21480372 0.92 L3MBTL1 (0.65) ALDH1A1HSD17B10ALOX12TDP1ALOX15
SCHEMBL38820 0.90 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12TDP1ALOX15
SCHEMBL8467092 0.88 ALDH1A1 (0.95) ALDH1A1HSD17B10ALOX12TDP1ALOX15
Hydrogen Sulfide SCHEMBL8467082 0.88 ALDH1A1 (0.95) ALDH1A1HSD17B10ALOX12TDP1ALOX15
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL10454790 0.88 ALDH1A1 (0.95) ALDH1A1HSD17B10ALOX12TDP1ALOX15
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL10454791 0.88 ALDH1A1 (0.95) ALDH1A1HSD17B10ALOX12TDP1ALOX15
SCHEMBL475453 0.85 TDP1 (0.56) ALDH1A1HSD17B10ALOX12TDP1ALOX15
SCHEMBL28731573 0.84 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX12TDP1ALOX15
Hydrogen Sulfide SCHEMBL8431365 0.83 TDP1 (0.54) ALDH1A1HSD17B10ALOX12TDP1ALOX15
Hydrochloric Acid SCHEMBL10534023 0.83 TDP1 (0.54) ALDH1A1HSD17B10ALOX12TDP1ALOX15

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
EP-2293146-A2 Image bearing member-protecting agent, protecting agent-supplying device, process cartridge, image forming apparatus and image forming method Ricoh Company, Ltd. (JP) 2011-03-09 EP disclosed