SCHEMBL8735930

SCHEMBL8735930

O=[N+]([O-])c1cc(Cl)ccc1N=C=Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
MAPK1 P28482 3/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PDE7A Q13946 8/20 0.44
PDE7B Q9NP56 4/20 0.44
KIF18A Q8NI77 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3842281 0.88 VCAM1 (0.51) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL27638317 0.86 VCAM1 (0.50) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL18245482 0.80 TDP1 (0.53) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL12108419 0.80 MAPK1 (0.53) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL11879085 0.79 PLAU (0.60) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL12107121 0.79 MAPK1 (0.52) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL8677779 0.78 CYP3A4 (0.49) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL5522950 0.77 MAPK1 (0.50) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL28552829 0.77 L3MBTL1 (0.51) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL28233522 0.77 L3MBTL1 (0.51) VCAM1MAPK1TSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4064103-A SUBSTITUTED CARBODIIMIDES BASF AKTIENGESELLSCHAFT (DT) 1977-12-20 US claimed
EP-0323047-B1 Phosphate/epoxy stabilizer for extrudable polyester blends FORD MOTOR CO (GB) 1998-01-21 EP disclosed
EP-0321126-B1 Stabilizer system for extrudable polyester blends FORD MOTOR CO (GB) 1994-03-16 EP disclosed
US-5023284-A Prevents transesterification FORD MOTOR COMPANY (US) 1991-06-11 US disclosed
US-4983654-A TO RETARD TRANSESTERIFICATION FORD MOTOR COMPANY (US) 1991-01-08 US disclosed
EP-0323045-A1 Stabilizer system for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-07-05 EP disclosed
EP-0323047-A1 Phosphate/epoxy stabilizer for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-07-05 EP disclosed
EP-0321126-A1 Stabilizer system for extrudable polyester blends FORD MOTOR COMPANY LIMITED (GB) 1989-06-21 EP disclosed