SCHEMBL2172967

SCHEMBL2172967

Cc1nc2cc([N+](=O)[O-])ccc2s1.Nc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.75
ALDH1A1 P00352 3/20 0.75
CYP3A4 P08684 1/20 0.75
TSHR P16473 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
HTT P42858 1/20 0.75
GAA P10253 1/20 0.53
PDK1 Q15118 1/20 0.51
CA2 P00918 1/20 0.51
CA5A P35218 1/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL31219335 0.87 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL334808 0.87 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL3244369 0.87 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL84324 0.87 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL482233 0.87 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
Nitrogen SCHEMBL28651597 0.84 ALDH1A1 (0.94) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL5049722 0.83 ALDH1A1 (0.86) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
Sulfuric Acid SCHEMBL28206216 0.80 ALDH1A1 (0.86) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL8136089 0.78 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1
Hydrochlorthiazide SCHEMBL9107766 0.75 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1CYP3A4TSHRTDP1

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-2346956-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES Loctite (R & D) Limited (IE) 2011-07-27 EP disclosed
WO-2010046412-A1 ACTIVATORS FOR TWO PART CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2010-04-29 WO disclosed