SCHEMBL7754064

SCHEMBL7754064

CCOC(=O)C(Cl)C(Cl)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 7/20 0.46
POLB P06746 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL4656404 0.86 NPSR1 (0.50) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3340975 0.85 NPSR1 (0.52) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL4659390 0.78 POLB (0.49) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL1625289 0.77 MAPT (0.52) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL7762950 0.77 NPSR1 (0.46) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL4658268 0.76 LMNA (0.48) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL4657836 0.75 KMT2A (0.49) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL2595990 0.74 MAPT (0.49) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL11009313 0.74 ALDH1A1 (0.50) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL17742882 0.74 ALDH1A1 (0.54) KDM4EMAPTMAPK1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559687-B1 2-AMINOCINNAMIC ACID ESTERS BASF AG (DE) 2001-01-24 EP disclosed
US-5324843-A Process for making 3,4,5,6-tetrahydrophthalimide derivatives BASF AKTIENGESELLSCHAFT (DE) 1994-06-28 US disclosed