SCHEMBL9238191

SCHEMBL9238191

CC(C)CC(=O)c1ccc(OCC(O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
EGFR P00533 3/20 0.53
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 4/20 0.44
ADORA2B P29275 3/20 0.44
PABPC1 P11940 1/20 0.41
MAPK1 P28482 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL9692997 0.90 EGFR (0.50) MEN1LMNAHTTKMT2AEGFR
SCHEMBL9692973 0.78 EGFR (0.54) MEN1LMNAHTTKMT2AEGFR
SCHEMBL22521780 0.77 LMNA (0.77) MEN1LMNAHTTKMT2AEGFR
SCHEMBL9123290 0.76 SMN1; SMN2 (0.53) MEN1LMNAHTTKMT2A
SCHEMBL9122575 0.74 PTGES (0.55) MEN1LMNAKMT2ATDP1
SCHEMBL22521650 0.74 MEN1 (0.98) MEN1LMNAHTTKMT2AEGFR
SCHEMBL24559136 0.73 MEN1 (0.80) MEN1LMNAHTTKMT2AEGFR
SCHEMBL22521653 0.73 LMNA (0.80) MEN1LMNAHTTKMT2AEGFR
SCHEMBL9124575 0.73 MAPT (0.42) MEN1LMNAHTTKMT2AALDH1A1
SCHEMBL22521651 0.71 LMNA (0.76) MEN1LMNAHTTKMT2AEGFR

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
US-5470858-A Anticholesterol agents PIERREL SPA (IT) 1995-11-28 US disclosed