SCHEMBL6682672

SCHEMBL6682672

CCCCC#Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 5/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 3/20 0.48
HSP90AA1 P07900 2/20 0.48
S1PR2 O95136 1/20 0.48
OPRK1 P41145 1/20 0.48
FFAR1 O14842 1/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
ACHE P22303 1/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
PTPN11 Q06124 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL6682165 0.94 NPSR1 (0.46) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL22301347 0.91 ALDH1A1 (0.50) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL1312435 0.85 ALDH1A1 (0.51) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL6702166 0.85 MAPT (0.45) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL6690856 0.84 ALDH1A1 (0.50) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL6690094 0.83 ALDH1A1 (0.49) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL6697515 0.82 ALDH1A1 (0.54) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL6696703 0.81 PTPN2 (0.49) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL12379592 0.80 PTPN2 (0.46) ALDH1A1NPSR1HTTMAPTHSP90AA1
SCHEMBL28728423 0.79 TSHR (0.67) ALDH1A1NPSR1HTTMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490802-B1 METHOD OF INKJET PRINTING AND FIXING COMPOSITION HEWLETT PACKARD DEVELOPMENT CO (US) 2021-08-11 EP claimed
EP-2302011-B1 Curable gel inks with reduced syneresis and halo formation XEROX CORP (US) 2014-07-09 EP claimed
EP-1201720-B1 Printing fluid additives promoting overcoat adhesion HEWLETT PACKARD CO (US) 2004-09-15 EP claimed