SCHEMBL28005473

SCHEMBL28005473

Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.76
POLB P06746 1/20 0.76
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
HPGD P15428 2/20 0.58
USP14 P54578 4/20 0.57
USP7 Q93009 3/20 0.57
NPC1 O15118 3/20 0.56
USP5 P45974 2/20 0.56
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA9 Q16790 6/20 0.54
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
XBP1 P17861 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL28005478 0.90 SMN1; SMN2 (0.72) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL17949750 0.89 SMN1; SMN2 (0.74) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL6921663 0.86 RAB9A (0.82) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL19501256 0.86 RAB9A (1.00) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL17949741 0.84 RAB9A (0.82) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL19749191 0.84 RAB9A (0.82) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL28005471 0.80 SMN1; SMN2 (0.74) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL23524551 0.79 SMN1; SMN2 (0.76) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL23524514 0.76 USP14 (0.70) RAB9APOLBMEN1KMT2AL3MBTL1
SCHEMBL28005476 0.75 SMN1; SMN2 (0.67) RAB9APOLBMEN1KMT2AL3MBTL1

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
CN-104478780-A Acylpyrrole small-molecular organic compound, derivatives of organic compound as well as application and preparation method of acylpyrrole small-molecular organic compound and derivatives of organic compound UNIV EAST CHINA NORMAL 2015-04-01 CN claimed
CN-104478780-A Acylpyrrole small-molecular organic compound, derivatives of organic compound as well as application and preparation method of acylpyrrole small-molecular organic compound and derivatives of organic compound UNIV EAST CHINA NORMAL 2015-04-01 CN disclosed