SCHEMBL883891

SCHEMBL883891

[C]1=C(N2CCOCC2)NCC=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
MAPT P10636 4/20 0.32
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL17734089 0.64 ALDH1A1 (0.36) LMNAMAPTGAAKMT2AHTT
SCHEMBL15647482 0.63 LMNA (0.34) LMNAMAPTGAAKMT2AHTT
SCHEMBL9093746 0.58 LMNA (0.71) LMNAMAPTSMN1; SMN2KMT2AHTT
SCHEMBL4618582 0.57
SCHEMBL4807047 0.57
SCHEMBL16616831 0.57
SCHEMBL28646855 0.56 MAPT (0.52) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL28640180 0.56 LMNA (0.61) LMNAMAPTSMN1; SMN2KMT2AHTT
SCHEMBL28815529 0.56 LMNA (0.67) LMNAMAPTGAASMN1; SMN2KMT2A
SCHEMBL4510267 0.55 LMNA (0.42) LMNAMAPTGAASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
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