SCHEMBL6687308

SCHEMBL6687308

COCCOCCOCCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.43
CHEK1 O14757 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
HCAR3 P49019 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
SCHEMBL13474908 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31253883 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4111905 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6683177 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL9063384 0.84 MEN1 (0.59) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL8495073 0.83 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6661001 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL1436413 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTLMNACYP3A4
SCHEMBL9362048 0.78 LMNA (0.44) ALDH1A1KDM4EKMT2AMAPTLMNA
SCHEMBL22072961 0.77 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTLMNA

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