SCHEMBL3852664

SCHEMBL3852664

N=C(CC(=O)OC(=O)CC(=N)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
CDK9 P50750 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
NAPRT Q6XQN6 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL11812731 0.82 ALDH1A1 (0.54) SMN1; SMN2TP53TSHRHSD17B10MAPT
SCHEMBL3858742 0.82 EPHX2 (0.54) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL3074308 0.80 EPHX2 (0.57) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL5931221 0.77 KMT2A (0.59) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL14465838 0.75 MAPT (0.50) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL3078266 0.74 ALDH1A1 (0.50) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL3074950 0.72 HSD17B10 (0.52) TP53TSHRHSD17B10MAPTGAA
Benzene SCHEMBL28162617 0.71 EPHX2 (0.70) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL7634 0.71 EPHX2 (0.70) EPHX2SMN1; SMN2TP53EPHX1TSHR
SCHEMBL21029056 0.71 ALDH1A1 (0.46) EPHX2SMN1; SMN2TP53EPHX1TSHR

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-1506855-B1 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORP (JP) 2009-09-30 EP disclosed
US-20050037282-A1 Lithographic printing plate precursor and lithographic printing method FUJIFILM CORPORATION (JP) 2005-02-17 US disclosed
EP-1506855-A2 Lithographic printing plate precursor and lithographic printing method FUJI PHOTO FILM CO., LTD. (JP) 2005-02-16 EP disclosed