SCHEMBL8366342

SCHEMBL8366342

COc1cc(OCC2CCCNC2)cc(OS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.42
EED O75530 1/20 0.41
MAP2K1 Q02750 1/20 0.41
CTRC Q99895 2/20 0.39
F10 P00742 1/20 0.39
PRSS2 P07478 1/20 0.39
HTR6 P50406 2/20 0.38
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TYMS P04818 1/20 0.36
EDNRA P25101 2/20 0.36
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Hydrochloric Acid SCHEMBL8192092 0.82 F2 (0.42) F2EEDMAP2K1CTRCF10
SCHEMBL8364162 0.79 F2 (0.48) F2CTRCF10PRSS2HTR6
SCHEMBL8366343 0.75 CA2 (0.49) F2PRSS2KMT2AATMTYMS
SCHEMBL7442091 0.74 F2 (0.66) F2CTRCF10PRSS2
SCHEMBL13107014 0.73 EED (0.67) EEDMAP2K1TDP1
SCHEMBL7445929 0.73 F2 (0.60) F2EEDMAP2K1CTRCF10
SCHEMBL3443378 0.68 TDP1 (0.65) EEDMAP2K1TDP1
SCHEMBL8696239 0.67 IKBKB (0.43) F2EEDMAP2K1CTRCHTR6
SCHEMBL711797 0.67 CA2 (0.58) F2PRSS2KMT2AATMTYMS
SCHEMBL11129970 0.65 KMT2A (0.47) F2PRSS2HTR6KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed