SCHEMBL7647995

SCHEMBL7647995

COc1cc(CCOC(=O)Cl)c([N+](=O)[O-])cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2D6 P10635 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CTSD P07339 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43

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
SCHEMBL7759636 0.87 ALDH1A1 (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL29588785 0.86 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL874473 0.86 ALDH1A1 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL6661356 0.81 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL6573968 0.79 RAB9A (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL9250162 0.78 RAB9A (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL7648154 0.77 ACLY (0.44) RAB9ANPC1ALDH1A1KDM4ETDP1
SCHEMBL2340156 0.77 RAB9A (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL7057948 0.77 CYP1A2 (0.57) SMN1; SMN2ALDH1A1KDM4EHTTTDP1
SCHEMBL4967072 0.77 ALDH1A1 (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E

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-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP disclosed
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed