SCHEMBL9307787

SCHEMBL9307787

O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1.O=C(c1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.81
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 4/20 0.63
LMNA P02545 3/20 0.63
RAF1 P04049 1/20 0.63
HPGD P15428 1/20 0.63
GFER P55789 1/20 0.63
PAX8 Q06710 1/20 0.63
ITGB1 P05556 1/20 0.52
ITGA5 P08648 1/20 0.52
TTR P02766 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL4604303 1.00 VCAM1 (0.81) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL4605109 0.90 VCAM1 (0.62) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL1258621 0.90 VCAM1 (1.00) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL332714 0.89 VCAM1 (0.63) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL8626465 0.89 TTR (0.62) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL8625340 0.89 VCAM1 (0.96) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL9524519 0.88 VCAM1 (0.81) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL10383201 0.87 VCAM1 (0.87) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL1467263 0.85 VCAM1 (0.68) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL25962653 0.85 VCAM1 (0.90) VCAM1MAPTALDH1A1MAPK1LMNA

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
US-5372986-A Heat resistant layer containing a polyether AGFA-GEVAERT, N.V. (BE) 1994-12-13 US disclosed
US-4964890-A GAS-PERMEABLE FILMS OF A THERMOPLASTIC POLYETHER HAVING DIHYDROXYBENZOPHENONE AND DIHYDROXYDIPHENYLCYCLOALKANE UNITS; DIMENSIONAL STABILITY; HEAT RESISTANCE; MEMBRANES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed