SCHEMBL6661001

SCHEMBL6661001

COCCOCCOCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 4/20 0.46
CHEK1 O14757 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SNCA P37840 1/20 0.39

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
SCHEMBL9865038 0.95 NPC1 (0.45) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL31253883 0.89 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL4111905 0.89 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL13474908 0.89 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL9866271 0.87 ALDH1A1 (0.43) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL6683177 0.85 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL8495073 0.84 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL6687308 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL15365285 0.81 MAPT (0.40) ALDH1A1LMNAMAPTMAPK1HPGD
SCHEMBL3470252 0.81 HTT (0.44) ALDH1A1LMNAMAPTKDM4ENPC1

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