SCHEMBL4787639

SCHEMBL4787639

CN(C)c1ccc2c(c1)C(=O)OC2(c1ccccc1N(C)C)c1cccn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
CYP3A4 P08684 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HIF1A Q16665 1/20 0.54
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.34
LMNA P02545 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
FTO Q9C0B1 3/20 0.34
POLB P06746 3/20 0.34
HTT P42858 2/20 0.34
GPR55 Q9Y2T6 2/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMAD3 P84022 1/20 0.34

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
SCHEMBL11259358 0.91 TDP1 (0.48) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL27628798 0.86 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL2905368 0.86 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL1346900 0.85 ALDH1A1 (0.72) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL7764771 0.81 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL11651765 0.81 TDP1 (0.58) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL11254439 0.78 TDP1 (0.46) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL10690656 0.77 TDP1 (0.56) ALDH1A1TDP1CYP3A4HPGDHSD17B10
Indole SCHEMBL9707209 0.76 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4HPGDHSD17B10
SCHEMBL7007875 0.76 TDP1 (0.59) ALDH1A1TDP1CYP3A4HPGDHSD17B10

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-2008124412-A1 INK AND DEVELOPER SYSTEM IYA TECHNOLOGY LABORATORIES, LLC (US) 2008-10-16 WO claimed