SCHEMBL9168933

SCHEMBL9168933

CCCCCCCCCCCCCCCCCCNC(=O)c1cccc(N)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
NAAA Q02083 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.57
CA2 P00918 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.53
ALOX15 P16050 3/20 0.53
MLYCD O95822 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 1/20 0.50

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
SCHEMBL9168059 1.00 SMN1; SMN2 (0.69) SMN1; SMN2NAAAL3MBTL1CA2KDM4E
SCHEMBL15923326 1.00 SMN1; SMN2 (0.69) SMN1; SMN2NAAAL3MBTL1CA2KDM4E
SCHEMBL6258472 0.94 SMN1; SMN2 (0.79) SMN1; SMN2NAAAL3MBTL1KDM4EALDH1A1
SCHEMBL131829 0.89 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1CA2ALDH1A1
SCHEMBL6535127 0.89 SMN1; SMN2 (0.87) SMN1; SMN2NAAAL3MBTL1CA2ALDH1A1
SCHEMBL658648 0.88 L3MBTL1 (0.69) SMN1; SMN2NAAAL3MBTL1KDM4EALDH1A1
SCHEMBL12516004 0.88 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL27033126 0.87 SMN1; SMN2 (0.54) SMN1; SMN2NAAAKDM4EALDH1A1LMNA
SCHEMBL6535319 0.85 SMN1; SMN2 (0.74) SMN1; SMN2NAAAL3MBTL1CA2LMNA
SCHEMBL9171034 0.84 NAAA (0.61) SMN1; SMN2NAAAL3MBTL1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
CN-1088199-A The aniline that N-replaces HOFFMANN LA ROCHE (CH) 1994-06-22 CN disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP disclosed