SCHEMBL3178341

SCHEMBL3178341

CCOc1cc(N(O)O)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 4/20 0.33
POLB P06746 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.31
NPY5R Q15761 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3191798 0.93 CYP3A4 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL3178659 0.93 CYP3A4 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL29383067 0.92 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL30122739 0.92 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL50771 0.92 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL3184517 0.92 CYP3A4 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL3187977 0.91 CYP3A4 (0.34) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL3178577 0.91 SMN1; SMN2 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL3191788 0.91 LMNA (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD
SCHEMBL716663 0.90 ALDH1A1 (0.35) SMN1; SMN2CYP3A4ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834022-B2 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2017-12-05 US disclosed
EP-3031611-B1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD (JP) 2017-09-27 EP disclosed
US-20160332469-A1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2016-11-17 US disclosed
EP-3031611-A1 THERMAL RECORDING MATERIAL Mitsubishi Paper Mills Limited (JP) 2016-06-15 EP disclosed
EP-2096149-B1 INK FOR SCRATCH COLORING AND SHEET WITH INVISIBLE INFORMATION PRINTED MITSUBISHI PAPER MILLS LTD (JP) 2014-10-22 EP disclosed
US-8288313-B2 Thermal recording material MITSUBISHI PAPER MILLS LIMITED (JP) 2012-10-16 US disclosed
US-8283285-B2 Scratch color-developable ink and invisible information printed sheet MITSUBISHI PAPER MILLS LIMITED (JP) 2012-10-09 US disclosed
US-20100069240-A1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2010-03-18 US disclosed
US-20100021702-A1 SCRATCH COLOR-DEVELOPABLE INK AND INVISIBLE INFORMATION PRINTED SHEET MITSUBISHI PAPER INK MFG. CO., LTD. (JP) 2010-01-28 US disclosed
EP-2096149-A1 INK FOR SCRATCH COLORING AND SHEET WITH INVISIBLE INFORMATION PRINTED Mitsubishi Paper Mills Limited (JP) 2009-09-02 EP disclosed
US-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed