SCHEMBL2560057

SCHEMBL2560057

COc1ccc(OCc2cc(Br)cs2)c(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TUBB1 Q9H4B7 1/20 0.45
ALDH1A1 P00352 5/20 0.43
ERN1 O75460 1/20 0.42
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
CCR5 P51681 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIRT1 Q96EB6 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL2557096 0.90 ALDH1A1 (0.54) RAB9ATUBB1ALDH1A1ERN1TRIM24
SCHEMBL15332130 0.85 PTGDR2 (0.55) RAB9AALDH1A1ERN1PTGDR2CCR5
SCHEMBL2561409 0.82 PTGDR2 (0.42) KDM4EALDH1A1ERN1PTGDR2CCR5
SCHEMBL29227196 0.80 MAOB (0.55) RAB9AKDM4ETUBB1ALDH1A1ERN1
SCHEMBL2560017 0.80 ALDH1A1 (0.53) KDM4EALDH1A1PTGDR2SMN1; SMN2MAPT
SCHEMBL2556665 0.79 RAB9A (0.45) RAB9AKDM4ETUBB1ALDH1A1ERN1
SCHEMBL2557419 0.78 ALDH1A1 (0.62) RAB9AKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2559291 0.78 ALDH1A1 (0.55) RAB9AALDH1A1TRIM24TRIM33SMN1; SMN2
SCHEMBL2555993 0.78 MGMT (0.44) KDM4EALDH1A1ERN1PTGDR2CCR5
SCHEMBL21347524 0.76 TUBB1 (0.59) RAB9AKDM4ETUBB1ALDH1A1ERN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed