SCHEMBL7701416

SCHEMBL7701416

CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)NCCCNC(=O)CCCN)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
ALDH1A1 P00352 7/20 0.47
CA2 P00918 3/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 1/20 0.43
CA1 P00915 2/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7699296 0.96 F2 (0.50) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7704678 0.94 ALDH1A1 (0.53) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7704003 0.86 F2 (0.58) F2PRSS1PRSS2PRSS3ALDH1A1
Dimethylamine SCHEMBL7701419 0.86 RAB9A (0.51) ALDH1A1CA2RAB9ACA12CA9
Hydrochloric Acid SCHEMBL7701431 0.85 F2 (0.56) F2PRSS1PRSS2PRSS3ALDH1A1
Dimethylamine SCHEMBL7699303 0.82 RAB9A (0.51) F2ALDH1A1RAB9AMAPTNPSR1
SCHEMBL13056579 0.81 F2 (0.60) F2PRSS1PRSS2PRSS3ALDH1A1
Dimethylamine SCHEMBL7704681 0.80 RAB9A (0.57) ALDH1A1RAB9AMEN1KMT2ALMNA
SCHEMBL7699286 0.79 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL7701432 0.79 ALDH1A1 (0.54) F2PRSS1PRSS2PRSS3ALDH1A1

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-1208109-A2 NUCLEOSIDE ANALOGUES NYCOMED AMERSHAM PLC (GB) 2002-05-29 EP disclosed
WO-2001016150-A2 NUCLEOSIDE ANALOGUES AMERSHAM PLC (GB) 2001-03-08 WO disclosed