SCHEMBL6686855

SCHEMBL6686855

NP(N)(=O)N(SSN(c1ccccc1)P(N)(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 2/20 0.34
HPGD P15428 2/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34
ALOX12 P18054 1/20 0.34
RUNX1 Q01196 1/20 0.34
CBFB Q13951 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7078980 0.86 HTT (0.43) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL3081700 0.83 MEN1 (0.34) HTTMEN1KMT2A
SCHEMBL96680 0.78 HTT (0.48) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL7074349 0.77 MEN1 (0.36) HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL27416015 0.76 HTT (0.46) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL11149504 0.72 KMT2A (0.39) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL28496199 0.70 HTT (0.44) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL10935344 0.70 HTT (0.70) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL11149509 0.69 PPIB (0.31) HTTMEN1KMT2AALDH1A1NPSR1
SCHEMBL11715570 0.67 HTT (0.42) HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed