SCHEMBL27794157

SCHEMBL27794157

C=CC(NCCCC)S(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1nc(Cl)c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL27793925 0.87 PPARG (0.32) PPARG
SCHEMBL963892 0.86 POLB (0.35) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL963893 0.86 POLB (0.35) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL965422 0.83 PPARG (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL965424 0.83 PPARG (0.42) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL27794135 0.83 TLR8 (0.34) PPARGNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28785088 0.81 HDAC1 (0.35)
SCHEMBL27794146 0.79 PPARG (0.36) PPARGSMN1; SMN2
SCHEMBL27772683 0.79 PPARG (0.36) PPARGSMN1; SMN2
SCHEMBL966137 0.78 POLB (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2RXFP1

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
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 CN disclosed