SCHEMBL7783317

SCHEMBL7783317

O=[N+]([O-])c1cccc(Cl)c1CCS(=O)(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 3/20 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
SCHEMBL30714311 0.83 TDP1 (0.38) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL7784647 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL27780320 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL5739265 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL4309273 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL7783353 0.77 ALDH1A1 (0.59) ALDH1A1LMNACYP2C19MAPTMAPK1
SCHEMBL10756135 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL29975243 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL3631215 0.76 ALDH1A1 (0.50) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL5739943 0.75 ALDH1A1 (0.49) ALDH1A1KDM4ELMNACYP1A2CYP2C9

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-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 WO disclosed