SCHEMBL9719048

SCHEMBL9719048

CCCOc1c(OC)cc(C(C#N)C(=O)OCC)cc1SC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL9719027 0.84 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL9719084 0.81 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL9723254 0.77 CCR1 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9719067 0.74 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9829357 0.73 TUBB4A (0.41) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL5744359 0.72 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL9719059 0.72 ALDH1A1 (0.34) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15475932 0.70 KMT2A (0.47) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL9719016 0.70 ALDH1A1 (0.36) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL9829388 0.69 ALDH1A1 (0.48) SMN1; SMN2MEN1KMT2AGAAALDH1A1

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-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 EP disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed
EP-0257921-A2 New 1,3-diaryl cyclopentanes and derivatives thereof as paf antagonists MERCK & CO. INC. (US) 1988-03-02 EP disclosed