SCHEMBL7640581

SCHEMBL7640581

N#Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
VCAM1 P19320 5/20 0.57
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GRIA1 P42261 2/20 0.53
GRIA2 P42262 2/20 0.53
GRIA3 P42263 2/20 0.53
GRIA4 P48058 2/20 0.53
CYP1A2 P05177 2/20 0.53
GRM6 O15303 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C9 P11712 2/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL12443132 0.85 MAPT (0.50) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL773066 0.85 VCAM1 (0.49) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL7642508 0.85 VCAM1 (0.58) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL19606264 0.85 MAPT (0.50) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL12134605 0.82 VCAM1 (0.46) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL28649780 0.81 VCAM1 (0.49) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL773082 0.80 VCAM1 (0.45) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL14739198 0.79 VCAM1 (0.47) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL57107 0.79 VCAM1 (0.47) MAPTALDH1A1HTTVCAM1MEN1
SCHEMBL6727098 0.79 MEN1 (0.50) MAPTALDH1A1HTTVCAM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025013517-A1 RESIN COMPOSITION, CURED PRODUCT, LAMINATE, AND METHOD FOR PRODUCING CURED PRODUCT 富士フイルム株式会社 2025-01-16 WO disclosed
EP-0763539-B1 Novel phthalocyanine or naphthalocyanine derivative ORIENT CHEMICAL IND (JP) 2002-08-07 EP disclosed
US-5739319-A WATERPROOF DYES ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-14 US disclosed
EP-0763539-A2 Novel phthalocyanine or naphthalocyanine derivative ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-19 EP disclosed