SCHEMBL10691696

SCHEMBL10691696

CC(C)c1c(C=CC=O)c(-c2ccc(F)cc2)n2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FLT3 P36888 1/20 0.32
HMGCR P04035 3/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9697139 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9696745 0.80 MEN1 (0.34) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL10335300 0.79 PTGS2 (0.33) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL10335301 0.79 PTGS2 (0.33) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL10693357 0.77 HMGCR (0.46) ALDH1A1KDM4ELMNASMN1; SMN2HMGCR
SCHEMBL6241912 0.76 HMGCR (0.57) HMGCR
SCHEMBL10679732 0.76 HMGCR (0.57) HMGCR
SCHEMBL6327616 0.76 HMGCR (0.57) HMGCR
SCHEMBL9756864 0.75 HMGCR (0.38) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9756865 0.75 HMGCR (0.38) ALDH1A1MEN1KMT2AKDM4ELMNA

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-0265640-A2 Azaindole and indolizine derivatives, processes for their production and their use as pharmaceuticals SANDOZ AG (CH) 1988-05-04 EP disclosed