SCHEMBL2556761

SCHEMBL2556761

O=Cc1cccc(Br)c1OCc1cc(Br)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.37
MGMT P16455 4/20 0.36
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
HPGD P15428 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
KMT2A Q03164 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2564268 0.84 SRC (0.45) HPGDMAPTCA1CA2ALDH1A1
SCHEMBL15332065 0.83 LMNA (0.43) CYP2A6HPGDALDH1A1HTTSMN1; SMN2
SCHEMBL2560017 0.80 ALDH1A1 (0.53) CYP2A6HPGDSLC6A4SLC6A3GAA
SCHEMBL1639023 0.75 HPGD (0.49) MAOAMAOBHPGDGAAMAPT
SCHEMBL15332130 0.74 PTGDR2 (0.55) CYP2A6HPGDMAPTALDH1A1LMNA
SCHEMBL31634098 0.74 ALDH1A1 (0.43) CYP2A6HPGDMAPTCA1CA2
SCHEMBL29956332 0.73 MAOB (0.63) MAOAMAOBALDH1A1SMN1; SMN2TDP1
SCHEMBL10265246 0.72 LMNA (0.50) CYP2A6HPGDGAACA1CA2
SCHEMBL5631736 0.71 MAOB (0.50) MAOAMAOBHPGDMAPTCA1
SCHEMBL30679623 0.71 MAPT (0.43) MAOAMAOBHPGDMAPTALDH1A1

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