SCHEMBL25621

SCHEMBL25621

CC(C)(C)[Si](C)(C)OC1CCc2cc(/C=N/O)ccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL25622 1.00 ALDH1A1 (0.32) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL23883 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL23884 0.81 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL227332 0.78 SLC6A4 (0.41)
SCHEMBL24859 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL24860 0.76 ALDH1A1 (0.33) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL20269757 0.75 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL29700361 0.74 LRRK2 (0.48)
SCHEMBL22056586 0.74 IDO1 (0.53)
SCHEMBL14896516 0.72 CA12 (0.35)

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
WO-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed