SCHEMBL28005476

SCHEMBL28005476

CCN(CC)S(=O)(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCCC3)c2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
HPGD P15428 4/20 0.67
USP14 P54578 6/20 0.65
USP7 Q93009 3/20 0.65
KDM4E B2RXH2 3/20 0.65
RAB9A P51151 5/20 0.64
NPC1 O15118 4/20 0.64
USP5 P45974 2/20 0.64
POLB P06746 2/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL28005471 0.85 SMN1; SMN2 (0.74) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL23524551 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL28005478 0.84 SMN1; SMN2 (0.72) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL17949750 0.84 SMN1; SMN2 (0.74) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL6922583 0.81 SMN1; SMN2 (0.97) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL28005835 0.81 SMN1; SMN2 (0.69) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL16079020 0.81 SMN1; SMN2 (1.00) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL23524553 0.81 SMN1; SMN2 (0.81) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL6921673 0.80 SMN1; SMN2 (0.72) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL6922702 0.80 SMN1; SMN2 (0.76) SMN1; SMN2HPGDUSP14USP7KDM4E

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