SCHEMBL4436754

SCHEMBL4436754

CS(=O)(=O)c1ccccc1NC(=S)c1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
BCAT2 O15382 1/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL5483549 0.80 L3MBTL1 (0.50) KDM4EALDH1A1BCAT2CA1CA2
SCHEMBL30752023 0.80 CA1 (0.49) KDM4EALDH1A1BCAT2JAK2JAK1
SCHEMBL2575446 0.80 CA1 (0.49) KDM4EALDH1A1BCAT2JAK2JAK1
SCHEMBL27953437 0.80 ALDH1A1 (0.40) KDM4EALDH1A1BCAT2JAK2JAK1
SCHEMBL364343 0.76 BCAT2 (0.56) KDM4EALDH1A1BCAT2JAK2JAK1
SCHEMBL29699541 0.75 PABPC1 (0.56) KDM4EALDH1A1BCAT2JAK2JAK1
SCHEMBL2698248 0.75 LMNA (0.65) KDM4EALDH1A1BCAT2PABPC1EIF4H
SCHEMBL7108586 0.74 NPC1 (0.53) ALDH1A1BCAT2JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL27374126 0.74 BCAT2 (0.54) KDM4EALDH1A1BCAT2JAK2JAK1
SCHEMBL4439614 0.74 RXFP1 (0.50) ALDH1A1CA1CA2SMN1; SMN2CA9

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
EP-2200977-A2 F1F0-ATPASE INHIBITORS AND RELATED METHODS The Regents of the University of Michigan (US) 2010-06-30 EP disclosed
WO-2009036175-A2 F1F0-ATPASE INHIBITORS AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-03-19 WO disclosed