SCHEMBL19118751

SCHEMBL19118751

Cc1nn(C)c(C)c1OC(=O)N(C)Cc1csc(NC(=O)NCc2csc(Cl)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SHMT2 P34897 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 1/20 0.35
ROCK1 Q13464 10/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ROCK2 O75116 8/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL19118750 0.86 KMT2A (0.37) LMNASHMT2RAB9ANPC1KMT2A
SCHEMBL352830 0.86 SHMT2 (0.36) LMNASHMT2RAB9ANPC1KMT2A
SCHEMBL19119126 0.85 LMNA (0.36) LMNAROCK1SMN1; SMN2ROCK2MAPT
SCHEMBL19119542 0.83 ROCK1 (0.40) LMNAROCK1ROCK2
SCHEMBL19119206 0.82 LMNA (0.38) LMNAROCK1SMN1; SMN2ROCK2MAPT
SCHEMBL354220 0.76 ROCK1 (0.38) LMNAROCK1SMN1; SMN2ROCK2MAPT
SCHEMBL352380 0.76 ROCK1 (0.39) LMNARAB9AROCK1ROCK2
SCHEMBL353678 0.75 ROCK1 (0.36) LMNAROCK1SMN1; SMN2ROCK2MAPT
SCHEMBL19119502 0.74 ROCK1 (0.35) LMNARAB9ANPC1ROCK1SMN1; SMN2
SCHEMBL19119368 0.73 KDM4E (0.36) LMNASHMT2KMT2ASMN1; SMN2MAPT

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-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed