SCHEMBL5054243

SCHEMBL5054243

CC1CN(c2c(F)cc(Br)cc2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC(C)O1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 4/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMYD2 Q9NRG4 2/20 0.31
TSHR P16473 1/20 0.31
OPRK1 P41145 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5055328 0.86 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL5058962 0.85 RAB9A (0.35) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL5012706 0.83 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2307090 0.83 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2308301 0.83 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL3068264 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2312254 0.81 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL2506037 0.81 KDM4E (0.33) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL5015624 0.80 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL5014338 0.80 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4EGAA

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-1888597-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2008-02-20 EP disclosed
WO-2006120563-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2006-11-16 WO disclosed