SCHEMBL5708231

SCHEMBL5708231

Cc1[c]c(SCc2ccc3cn(-c4ccc(C(F)(F)F)cc4)nc3c2)ccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM1A O60341 3/20 0.35
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CKS1B P61024 1/20 0.33
SKP2 Q13309 1/20 0.33
ALOX15B O15296 1/20 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
SCHEMBL5708205 0.80 PARP1 (0.35) KDM1AMPOKCNH2
SCHEMBL3964486 0.76 NOTUM (0.48) CRBNIRAK4RAB9AMAPTMEN1
SCHEMBL3964384 0.71 PPARD (0.43)
SCHEMBL3960603 0.71 PPARD (0.61)
SCHEMBL3966965 0.70 PPARD (0.57)
SCHEMBL3964493 0.70 PPARA (0.48)
SCHEMBL3968800 0.70 PPARD (0.43) MEN1LMNAKMT2AL3MBTL1MAOB
SCHEMBL13802901 0.70 PPARD (0.47)
SCHEMBL3967978 0.70 PPARD (0.43)
SCHEMBL3960606 0.70 PPARA (0.53) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP claimed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO claimed