SCHEMBL14919628

SCHEMBL14919628

O=S(=O)(NCCc1ccccc1)c1cccc2c(S(=O)(=O)NCCc3ccccc3)cccc12

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.83
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
PRMT1 Q99873 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3701345 0.92 NSD2 (0.72) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4470111 0.91 NSD2 (0.71) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4441217 0.91 NSD2 (1.00) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4446911 0.90 NSD2 (1.00) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL3693790 0.87 NSD2 (0.70) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11686439 0.86 NSD2 (0.86) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4455276 0.84 NSD2 (0.62) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8624405 0.83 NSD2 (0.60) NSD2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL15915771 0.81 RECQL (0.59) NSD2ALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL411161 0.81 SFRP1 (0.66) NSD2ALDH1A1TDP1SMN1; SMN2HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066469-A2 KINASE INHIBITORS CAPABLE OF INCREASING THE SENSITIVITY OF BACTERIAL PATHOGENS TO B-LACTAM ANTIBIOTICS SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2013-05-10 WO disclosed