SCHEMBL8653247

SCHEMBL8653247

Clc1ccccc1C(CBr)OC(CBr)c1ccccc1Cl.O=[N+]([O-])c1cc(Cl)ccc1OCCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.50
MAPT P10636 7/20 0.46
LMNA P02545 7/20 0.46
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.42
RECQL P46063 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
PDE7A Q13946 1/20 0.38
TP53 P04637 1/20 0.37
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7957556 0.82 S1PR4 (0.60) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL2798909 0.76 S1PR4 (0.59) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL29684617 0.71 S1PR4 (0.67) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL19174959 0.71 S1PR4 (0.67) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL13812975 0.70 S1PR4 (0.55) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL363493 0.70 S1PR4 (0.64) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL29707208 0.69 NPC1 (0.79) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL1127097 0.69 NPC1 (0.79) MAPTLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL357386 0.69 S1PR4 (0.59) S1PR4MAPTLMNAALDH1A1MAPK1
SCHEMBL18347875 0.68 S1PR4 (0.50) S1PR4MAPTLMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed