SCHEMBL4787644

SCHEMBL4787644

CN(C)c1cc2c(c(N(C)C)c1)C(c1ccccc1)(c1cccn1C)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.37
PTK2B Q14289 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
LMNA P02545 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
HSP90AA1 P07900 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL7764773 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL27628798 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11199311 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL1346900 0.76 ALDH1A1 (0.72) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL4787639 0.76 ALDH1A1 (0.54) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11259358 0.76 TDP1 (0.48) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL31715255 0.70 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11136712 0.70 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11651765 0.70 TDP1 (0.58) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
Indole SCHEMBL9707209 0.68 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDHIF1AHSD17B10

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 4 patents. 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
CN-103402782-A Thermosensitive recording material and method for producing same MITSUBISHI PAPER MILLS LTD 2013-11-20 CN disclosed
CN-102917883-A Heat-sensitive recording material and method for manufacturing the same MITSUBISHI PAPER MILLS LTD 2013-02-06 CN disclosed
CN-102781678-A Thermal recording material and process for producing same MITSUBISHI PAPER MILLS LTD 2012-11-14 CN disclosed