SCHEMBL6422299

SCHEMBL6422299

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C=C(C(=O)O)c1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 4/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
GRIN1 Q05586 1/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6422298 1.00 KMT2A (0.53) KMT2ATSHRLMNAMEN1CYP1A2
SCHEMBL6423082 0.92 MEN1 (0.51) KMT2ATSHRLMNAMEN1CYP1A2
SCHEMBL6423084 0.92 MEN1 (0.51) KMT2ATSHRLMNAMEN1CYP1A2
SCHEMBL6378318 0.87 MEN1 (0.52) KMT2ALMNAMEN1CYP1A2MAPK1
SCHEMBL6378002 0.87 MEN1 (0.52) KMT2ALMNAMEN1CYP1A2MAPK1
SCHEMBL6378003 0.87 MEN1 (0.52) KMT2ALMNAMEN1CYP1A2MAPK1
SCHEMBL6427184 0.87 MEN1 (0.56) KMT2ALMNAMEN1CYP1A2MAPK1
SCHEMBL6427180 0.87 MEN1 (0.56) KMT2ALMNAMEN1CYP1A2MAPK1
SCHEMBL6382966 0.86 MEN1 (0.51) KMT2ALMNAMEN1CYP1A2MAPK1
SCHEMBL8958950 0.86 MEN1 (0.58) KMT2ALMNAMEN1CYP1A2MAPK1

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-0929521-B1 NMDA (N-METHYL-D-ASPARTATE) ANTAGONISTS AVENTIS PHARMA INC (US) 2005-11-09 EP disclosed
EP-0929521-A1 NMDA (N-METHYL-D-ASPARTATE) ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP disclosed
US-5922752-A NMDA (n-methyl-d-aspartate) antagonists HOECHST MARION ROUSSELL, INC. (US) 1999-07-13 US disclosed
WO-1998014427-A1 NMDA (N-METHYL-D-ASPARTATE) ANTAGONISTS HOECHST MARION ROUSSEL, INC. (US) 1998-04-09 WO disclosed