SCHEMBL6663094

SCHEMBL6663094

O=[N+]([O-])c1ccc([N+](=O)[O-])c(N2CCNCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
ALDH1A1 P00352 7/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 1/20 0.64
ADRB1 P08588 1/20 0.59
SIRT6 Q8N6T7 1/20 0.59
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.56
HTR7 P34969 2/20 0.56
RECQL P46063 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP3A4 P08684 1/20 0.53
SLC6A4 P31645 1/20 0.53
THPO P40225 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53

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
SCHEMBL7520363 0.89 GAA (0.63) MAPTALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL20876774 0.88 GAA (0.72) MAPTALDH1A1SMN1; SMN2MAPK1ADRB1
SCHEMBL5552187 0.83 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL14940749 0.83 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1ADRB1
SCHEMBL7800525 0.83 MAPT (0.64) MAPTALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL6577448 0.83 HTT (0.60) MAPTALDH1A1SMN1; SMN2ADRB1SIRT6
SCHEMBL14941307 0.83 LMNA (0.75) MAPTALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL5205570 0.83 ADRB1 (0.58) MAPTALDH1A1ADRB1SIRT6LMNA
SCHEMBL27747369 0.83 MAPT (0.58) MAPTALDH1A1SMN1; SMN2ADRB1SIRT6
Hydrochloric Acid SCHEMBL3252780 0.82 ADRB1 (0.56) MAPTALDH1A1SMN1; SMN2MAPK1ADRB1

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