SCHEMBL4436756

SCHEMBL4436756

CS(=O)(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.65
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MEN1 O00255 2/20 0.59
ALOX12 P18054 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
RXFP1 Q9HBX9 1/20 0.54
PLK1 P53350 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL3054295 0.86 NPC1 (0.58) ALDH1A1HPGDNPC1RAB9A
SCHEMBL19086568 0.84 EPHX1 (0.59) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL6118209 0.83 EPHX1 (0.78) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL9538408 0.79 ALDH1A1 (0.50) EPHX1ALDH1A1MEN1ALOX12KMT2A
SCHEMBL8612464 0.79 EPHX1 (0.77) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL5713527 0.79 EPHX1 (1.00) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL8613625 0.77 EPHX1 (0.76) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL18550720 0.77 NPC1 (0.71) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL31741297 0.77 NPC1 (0.71) EPHX1MAPTALDH1A1MEN1ALOX12
SCHEMBL13454582 0.77 CA1 (0.75) EPHX1MAPTALDH1A1MEN1ALOX12

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