SCHEMBL28005471

SCHEMBL28005471

Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.74
HPGD P15428 3/20 0.74
USP14 P54578 7/20 0.72
KDM4E B2RXH2 4/20 0.72
USP7 Q93009 3/20 0.72
RAB9A P51151 5/20 0.71
NPC1 O15118 4/20 0.71
USP5 P45974 2/20 0.71
POLB P06746 1/20 0.61
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL23524551 0.99 SMN1; SMN2 (0.76) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL28005478 0.89 SMN1; SMN2 (0.72) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL23524514 0.89 USP14 (0.70) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL17949750 0.88 SMN1; SMN2 (0.74) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL6922583 0.86 SMN1; SMN2 (0.97) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL28005476 0.85 SMN1; SMN2 (0.67) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL23524553 0.85 SMN1; SMN2 (0.81) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL16079020 0.85 SMN1; SMN2 (1.00) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL23524510 0.84 SMN1; SMN2 (0.83) SMN1; SMN2HPGDUSP14KDM4EUSP7
SCHEMBL6921679 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HPGDUSP14KDM4EUSP7

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