SCHEMBL5581297

SCHEMBL5581297

O=[N+]([O-])c1[c]cc([N+](=O)[O-])c[c]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
CYP19A1 P11511 1/20 0.40
CES1 P23141 2/20 0.39
TSHR P16473 3/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.37
CES2 O00748 1/20 0.34
SRD5A2 P31213 1/20 0.34

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
SCHEMBL218653 0.72 HSD17B10 (0.52) ALDH1A1LMNACES1TSHRCA1
SCHEMBL7585983 0.70
SCHEMBL5581668 0.70
SCHEMBL193215 0.69 ALDH1A1 (0.43) ALDH1A1LMNACES1TSHRCA1
SCHEMBL18603 0.69 ALDH1A1 (0.43) ALDH1A1LMNACES1TSHRCA1
SCHEMBL146709 0.67 ALDH1A1 (0.44) ALDH1A1LMNACES1TSHRCA1
SCHEMBL3885956 0.67 ALDH1A1 (0.52) ALDH1A1LMNATSHRCA1CA2
SCHEMBL193032 0.67 HSD17B10 (0.47) ALDH1A1LMNACES1TSHRCA1
SCHEMBL743662 0.67 TDP1 (0.45) ALDH1A1LMNACYP19A1TSHRCA1
SCHEMBL973063 0.67 ALDH1A1 (0.44) ALDH1A1CES1TSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148480-A1 Laminate TEIJIN LIMITED (JP) 2007-06-28 US disclosed
EP-1698460-A1 MULTILAYER BODY TEIJIN LIMITED (JP) 2006-09-06 EP disclosed
US-20060134407-A1 Adhesive sheet and layered product TEIJIN LIMITED (JP) 2006-06-22 US disclosed
EP-1589086-A1 ADHESIVE SHEET AND LAYERED PRODUCT TEIJIN LIMITED (JP) 2005-10-26 EP disclosed