SCHEMBL6209263

SCHEMBL6209263

C/C(O)=C(/C(=O)O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.39
VCAM1 P19320 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.39
USP7 Q93009 3/20 0.37
USP47 Q96K76 2/20 0.37
DTYMK P23919 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
GPR35 Q9HC97 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6209266 1.00 SLC9A1 (0.39) SLC9A1VCAM1CA12CA9LMNA
SCHEMBL5235575 0.83 LMNA (0.37) SLC9A1VCAM1CA12CA9LMNA
SCHEMBL5235571 0.83 LMNA (0.37) SLC9A1VCAM1CA12CA9LMNA
SCHEMBL3902768 0.83 DTYMK (0.51) VCAM1LMNADTYMKALDH1A1GPR35
SCHEMBL9744165 0.81 CA12 (0.50) SLC9A1VCAM1CA12CA9LMNA
SCHEMBL8138894 0.75 VCAM1 (0.46) SLC9A1VCAM1LMNAALDH1A1GPR35
SCHEMBL11614707 0.75 TSHR (0.49) VCAM1LMNADTYMK
SCHEMBL2977714 0.74 DTYMK (0.50) SLC9A1VCAM1CA12CA9LMNA
SCHEMBL2894347 0.74 DTYMK (0.50) VCAM1CA12CA9DTYMKALDH1A1
SCHEMBL4511665 0.74 KMT2A (0.54) SLC9A1VCAM1LMNAALDH1A1MAPT

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-1603914-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004081010-A1 COMPOUNDS HAVING ACTIVITY AT 5HT2C RECEPTOR AND USES THEREOF GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed