SCHEMBL5216082

SCHEMBL5216082

CNC(=O)CCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 5/20 0.40
KDM4E B2RXH2 1/20 0.40
GSTO1 P78417 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP7 P09237 1/20 0.37

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
SCHEMBL3994492 0.79 RAB9A (0.47) BDKRB1RAB9AKMT2AMEN1KDM4E
SCHEMBL4894694 0.78 LMNA (0.53) KMT2ASMN1; SMN2MEN1POLBLMNA
SCHEMBL6276147 0.77 RAB9A (0.45) BDKRB1RAB9AKMT2AMEN1KDM4E
SCHEMBL11888733 0.75 RAB9A (0.62) BDKRB1RAB9AKMT2AMEN1POLB
SCHEMBL5218879 0.74 VCAM1 (0.48) KMT2ASMN1; SMN2MEN1POLBLMNA
SCHEMBL4891235 0.74 LMNA (0.41) KMT2ASMN1; SMN2POLBLMNAALDH1A1
SCHEMBL4476644 0.73 BDKRB1 (0.56) BDKRB1RAB9AKMT2AMEN1POLB
SCHEMBL4027806 0.73 SLC22A12 (0.42) BDKRB1RAB9AKMT2AMEN1HSD11B1
SCHEMBL5209884 0.72 LMNA (0.46) KMT2ASMN1; SMN2MEN1POLBLMNA
SCHEMBL27642658 0.70 MEN1 (0.51) RAB9AKMT2ASMN1; SMN2MEN1POLB

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-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP disclosed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO disclosed