SCHEMBL7645641

SCHEMBL7645641

CN(C)c1ccc(C2(c3ccc(N(C)C)cc3N)OC(=O)c3cc(N(C)C)ccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.80
ALDH1A1 P00352 4/20 0.80
CYP3A4 P08684 2/20 0.80
HSD17B10 Q99714 2/20 0.80
HPGD P15428 2/20 0.80
HIF1A Q16665 1/20 0.80
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
POLB P06746 3/20 0.43
FTO Q9C0B1 3/20 0.40
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPR55 Q9Y2T6 2/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
TYMS P04818 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL18143522 0.89 ALDH1A1 (1.00) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL27188 0.89 ALDH1A1 (1.00) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10369908 0.88 TDP1 (0.65) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL9189829 0.86 MEN1 (0.85) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3224698 0.85 TDP1 (0.82) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10689289 0.85 ALDH1A1 (0.82) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10613670 0.84 TDP1 (0.80) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10693177 0.84 TDP1 (0.80) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3398340 0.84 MEN1 (1.00) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL10434499 0.83 TDP1 (0.69) TDP1ALDH1A1CYP3A4HSD17B10HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59199757-A None JP disclosed
US-6395681-B1 RECORDING SYSTEM APPLETON PAPERS INC. 2002-05-28 US disclosed
EP-0124377-B1 CHROMOGENIC COMPOUNDS YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1991-09-25 EP disclosed
JP-S59199757-A FLUORENE COMPOUND, ITS MANUFACTURE, AND RECORDING MATERIAL USING THE SAME YAMAMOTO KAGAKU GOSEI KK 1984-11-12 JP disclosed
EP-0124377-A2 Chromogenic compounds YAMAMOTO KAGAKU GOSEI CO., LTD. (JP) 1984-11-07 EP disclosed