SCHEMBL4439614

SCHEMBL4439614

CS(=O)(=O)c1cccc(NC(=S)c2ccccc2C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 6/20 0.46
CSNK2A1 P68400 1/20 0.46
CA12 O43570 3/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
PDE4B Q07343 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL27953436 0.82 LMNA (0.51) LMNAMEN1KMT2AALDH1A1CA1
SCHEMBL4524583 0.80 CYP1A2 (0.57) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL3494987 0.78 LMNA (0.58) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL2698820 0.77 RXFP1 (0.62) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL5667998 0.76 FADS1 (0.61) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL4247807 0.75 ALDH1A1 (0.54) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL18098214 0.75 RXFP1 (0.64) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL1592707 0.74 LMNA (0.53) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL15256305 0.74 ALDH1A1 (0.63) RXFP1LMNAMEN1KMT2AALDH1A1
SCHEMBL16127847 0.74 ALDH1A1 (0.65) RXFP1LMNAMEN1KMT2AALDH1A1

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