SCHEMBL3651997

SCHEMBL3651997

Cc1onc(C(=O)O)c1C(=O)NCCc1csc(NC(=O)NCc2cccc(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
ROCK1 Q13464 4/20 0.49
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL19119212 0.91 HTT (0.53) ROCK2ROCK1MAPTLMNAHTT
SCHEMBL351593 0.85 ROCK2 (0.49) ROCK2ROCK1ATG4BHSD17B10GAA
SCHEMBL3653739 0.80 ROCK2 (0.62) ROCK2ROCK1MAPTATG4B
SCHEMBL4725993 0.78 ROCK1 (0.47) ROCK2ROCK1HTTATG4BHSD17B10
SCHEMBL355123 0.77 ROCK2 (0.51) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL4777330 0.77 ROCK1 (0.66) ROCK2ROCK1ATG4B
SCHEMBL354195 0.77 ROCK1 (0.54) ROCK2ROCK1NPC1RAB9AATG4B
SCHEMBL3656133 0.77 ROCK2 (0.60) ROCK2ROCK1LMNAATG4B
SCHEMBL354004 0.76 HTT (0.49) ROCK2ROCK1MAPTLMNAHTT
SCHEMBL4777264 0.76 ROCK2 (0.49) ROCK2ROCK1ATG4B

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-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed