SCHEMBL6663091

SCHEMBL6663091

O=[N+]([O-])c1cccc(N2CCNCC2)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
HTR7 P34969 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.48
ADRB1 P08588 4/20 0.47
SIRT6 Q8N6T7 1/20 0.47
TSHR P16473 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
CYP2D6 P10635 1/20 0.45
NCF1 P14598 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL2471909 0.89 HTT (0.54) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL29876153 0.85 HTR7 (0.60) MAPTHTR7LMNAGAAALDH1A1
SCHEMBL113133 0.85 HTR7 (0.60) MAPTHTR7LMNAGAAALDH1A1
SCHEMBL8589619 0.84 ADRB1 (0.61) HTR7ALDH1A1ADRB1SIRT6TSHR
Hydrochloric Acid SCHEMBL29947196 0.84 MAPT (0.59) MAPTHTR7LMNAGAAALDH1A1
Hydrochloric Acid SCHEMBL15821250 0.84 MAPT (0.59) MAPTHTR7LMNAGAAALDH1A1
SCHEMBL28501237 0.83 MAPT (0.51) MAPTHTR7LMNAGAAALDH1A1
SCHEMBL7374611 0.83 HTR7 (0.51) MAPTHTR7LMNAGAAALDH1A1
SCHEMBL30480462 0.83 MAPT (0.51) MAPTHTR7LMNAGAAALDH1A1
SCHEMBL12128754 0.81 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2MAPK1

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
EP-1082138-B1 TEXAPHYRIN CONJUGATES AND USES THEREOF UNIV TEXAS (US) 2004-08-25 EP disclosed
US-6207660-B1 Texaphyrin conjugates and uses thereof PHARMACYCLICS, INC. 2001-03-27 US disclosed
EP-1082138-A1 TEXAPHYRIN CONJUGATES AND USES THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2001-03-14 EP disclosed
WO-1999062551-A1 TEXAPHYRIN CONJUGATES AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-12-09 WO disclosed