SCHEMBL9328894

SCHEMBL9328894

CCCCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.88
MAPT P10636 2/20 0.88
SMN1; SMN2 Q16637 2/20 0.88
MEN1 O00255 1/20 0.88
ALDH1A1 P00352 1/20 0.88
TP53 P04637 1/20 0.88
ADRB1 P08588 1/20 0.88
CYP3A4 P08684 1/20 0.88
ADORA3 P0DMS8 1/20 0.88
HPGD P15428 1/20 0.88
PTGS1 P23219 1/20 0.88
KMT2A Q03164 1/20 0.88
HSD17B10 Q99714 1/20 0.88
CYSLTR2 Q9NS75 13/20 0.47
CYSLTR1 Q9Y271 13/20 0.47
ALB P02768 1/20 0.42
LMNA P02545 1/20 0.36

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
SCHEMBL9328909 1.00 KDM4E (0.88) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
Cinalukast SCHEMBL37964 0.94 KDM4E (1.00) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
Cinalukast SCHEMBL37965 0.94 KDM4E (1.00) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9329427 0.92 KDM4E (0.84) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9329439 0.92 KDM4E (0.84) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9328941 0.92 KDM4E (0.97) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9330119 0.92 KDM4E (0.97) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9796304 0.91 KDM4E (0.95) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9796296 0.91 KDM4E (0.95) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9331359 0.91 MAPT (0.77) KDM4EMAPTSMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355353-B1 Cycloalkylthiazole derivatives HOFFMANN LA ROCHE (CH) 1994-03-16 EP disclosed
US-5001140-A Cycloalkylthiazoles HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
EP-0355353-A2 Cycloalkylthiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-28 EP disclosed