SCHEMBL4787548

SCHEMBL4787548

CC(=O)Nc1ccc(C2=C(c3ccc(OC=S)cc3)C(=O)OC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
GAA P10253 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL4752350 0.82 PTGS2 (0.63) PTGS2SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL1487475 0.70 MEN1 (0.63) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL27709030 0.69 MEN1 (0.61) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL3818831 0.67 SMN1; SMN2 (1.00) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL10593687 0.66 MTNR1A (0.59) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL6516221 0.66 KMT2A (0.73) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8579105 0.66 KMT2A (0.72) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL861674 0.65 SMN1; SMN2 (0.84) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL14808444 0.64 KMT2A (1.00) HTTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL171415 0.64 SMN1; SMN2 (0.73) HTTSMN1; SMN2L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140251-A2 CYCLOOXYGENASE-2 INHIBITORS UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2008-11-20 WO claimed
WO-2008140251-A2 CYCLOOXYGENASE-2 INHIBITORS UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2008-11-20 WO disclosed