SCHEMBL9320143

SCHEMBL9320143

CCN(CC)c1ccc(C2(c3ccc(N(C)C)cc3)OC(=O)c3cc(N(C)C)ccc32)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TDP1 Q9NUW8 6/20 0.67
HPGD P15428 5/20 0.67
HSD17B10 Q99714 4/20 0.67
CYP3A4 P08684 4/20 0.67
HIF1A Q16665 1/20 0.67
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
HTT P42858 4/20 0.37
MAPK1 P28482 3/20 0.37
ATM Q13315 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TP53 P04637 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
ESR1 P03372 1/20 0.37
BRCA1 P38398 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37

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
SCHEMBL10693177 0.92 TDP1 (0.80) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL536831 0.90 ALDH1A1 (0.80) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL8322552 0.88 ALDH1A1 (0.78) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL3176397 0.88 ALDH1A1 (0.82) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL9319662 0.88 ALDH1A1 (0.69) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL9320001 0.88 ALDH1A1 (0.69) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL9319300 0.88 ALDH1A1 (0.69) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL28008 0.88 ALDH1A1 (0.69) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL29384978 0.88 ALDH1A1 (0.69) ALDH1A1TDP1HPGDHSD17B10CYP3A4
SCHEMBL1369193 0.87 ALDH1A1 (0.80) ALDH1A1TDP1HPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0349194-B1 Heat-sensitive record material KANZAKI PAPER MFG CO LTD (JP) 1994-01-05 EP disclosed
US-4977132-A CONTAINING FLUORAN DERIVATIVE, PHTHALIDE DERIVATIVE, PHENOLIC COMPOUND; STORAGE STABILITY KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-12-11 US disclosed
US-4580153-A COLOR FORMING BETWEEN COLORLESS CHROMOGENIC VINYL PHTHALIDE COMPOUND AND ELECTRON ACCEPTOR KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1986-04-01 US disclosed