SCHEMBL5043490

SCHEMBL5043490

CS(=O)(=O)n1cc(C(=NN)Nc2cccc(F)c2F)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 2/20 0.37
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
SCN9A Q15858 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
SLC9A1 P19634 2/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL14278707 0.89 SMN1; SMN2 (0.37) PLA2G7POLBSMN1; SMN2SCN9ATSHR
SCHEMBL5038310 0.89 SMN1; SMN2 (0.37) PLA2G7POLBSMN1; SMN2SCN9ATSHR
SCHEMBL5033952 0.77 RAB9A (0.46) PLA2G7POLBSMN1; SMN2TSHRRAB9A
SCHEMBL5041304 0.75 RAB9A (0.38) PLA2G7POLBSMN1; SMN2SCN9ARAB9A
SCHEMBL14278748 0.74 NOD2 (0.42) SMN1; SMN2TSHRRAB9AKMT2ATP53
SCHEMBL5042461 0.72 CYP1A2 (0.47) POLBSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL2089517 0.63 KMT2A (0.52) PLA2G7SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL4635029 0.62 ALPL (0.45) PLA2G7POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4635031 0.62 ALPL (0.45) PLA2G7POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6185781 0.62 RAB9A (0.53) PLA2G7POLBSMN1; SMN2RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660487-B1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMA (US) 2008-03-19 EP disclosed