SCHEMBL28354599

SCHEMBL28354599

Cc1ccc(S(=O)(=O)O)c(CCCCCOCCOCCCOC2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
P2RX3 P56373 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28385006 0.96 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL29025634 0.88 MEN1 (0.39) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL20120933 0.82 MEN1 (0.34) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9340198 0.77 POLB (0.40) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL27131193 0.77 KDM4E (0.33) KMT2ARAB9AKDM4EMAPK1ALDH1A1
SCHEMBL32681962 0.77 MPL (0.36) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2410260 0.77 KDM4E (0.38) MEN1KMT2AKDM4EALDH1A1
SCHEMBL20305757 0.76 MEN1 (0.46) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL30011160 0.76 PDIA6 (0.38) L3MBTL1ALDH1A1LMNA
SCHEMBL11505371 0.75 PDIA6 (0.34) L3MBTL1ADRB2ADRB1ADRB3MAPK1

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
CN-110753693-A EGFR proteolytic targeting chimeric molecules and related methods of use 阿尔维纳斯运营股份有限公司 2020-02-04 CN disclosed