SCHEMBL4894100

SCHEMBL4894100

N#Cc1c([N+](=O)[O-])c[c]cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.44
MAPT P10636 4/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
GRM6 O15303 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL618153 0.77 TDP1 (0.54) VCAM1TDP1HPGDRAB9AALDH1A1
SCHEMBL28411050 0.76 VCAM1 (0.42) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL4614782 0.74 GPR35 (0.55) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL4615067 0.74 VCAM1 (0.46) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL11384676 0.74 TDP1 (0.48) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL3033497 0.74 ALDH1A1 (0.59) VCAM1MAPTALOX15TDP1HPGD
SCHEMBL57836 0.73 TSHR (0.40) MAPTALOX15TDP1POLBALDH1A1
SCHEMBL7615798 0.71 TDP1 (0.40) VCAM1MAPTALOX15TDP1HPGD
SCHEMBL7232153 0.71 VCAM1 (0.52) VCAM1MAPTALOX15TDP1HPGD
SCHEMBL221622 0.71 TDP1 (0.56) MAPTCYP1A2TDP1ALDH1A1NPC1

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-20080044149-A1 Polymerizable Composition TOYO INK MFG. CO., LTD. (JP) 2008-02-21 US disclosed
EP-1816152-A1 POLYMERIZABLE COMPOSITION TOYO INK MFG. CO., LTD. (JP) 2007-08-08 EP disclosed