SCHEMBL28005478

SCHEMBL28005478

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

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.72
HPGD P15428 3/20 0.72
USP14 P54578 4/20 0.71
USP7 Q93009 3/20 0.71
KDM4E B2RXH2 2/20 0.71
RAB9A P51151 5/20 0.69
NPC1 O15118 4/20 0.69
USP5 P45974 2/20 0.69
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CHRNA7 P36544 5/20 0.52
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL17949750 0.99 SMN1; SMN2 (0.74) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL28005473 0.90 RAB9A (0.76) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL28005471 0.89 SMN1; SMN2 (0.74) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL23524551 0.88 SMN1; SMN2 (0.76) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL6922583 0.85 SMN1; SMN2 (0.97) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL28005476 0.84 SMN1; SMN2 (0.67) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL6923142 0.84 SMN1; SMN2 (0.81) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL16079020 0.84 SMN1; SMN2 (1.00) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL23524553 0.84 SMN1; SMN2 (0.81) SMN1; SMN2HPGDUSP14USP7KDM4E
SCHEMBL23524510 0.83 SMN1; SMN2 (0.83) 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