SCHEMBL2553501

SCHEMBL2553501

COc1cc(C=O)cc(Cl)c1OCc1cc(Br)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
MAPT P10636 7/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 3/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 4/20 0.44
MCL1 Q07820 1/20 0.44
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 1/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL29952934 0.79 ALDH1A1 (0.48) ALDH1A1MAPTTDP1CYP1A2L3MBTL1
SCHEMBL2559291 0.79 ALDH1A1 (0.55) ALDH1A1MAPTTDP1POLBKMT2A
SCHEMBL2557419 0.79 ALDH1A1 (0.62) ALDH1A1MAPTCYP1A2L3MBTL1POLB
SCHEMBL2650454 0.78 ALDH1A1 (0.48) ALDH1A1MAPTTDP1CYP1A2L3MBTL1
SCHEMBL15330861 0.77 ALDH1A1 (0.41) ALDH1A1MAPTCYP1A2KMT2ACYP2C19
SCHEMBL4839769 0.74 ALDH1A1 (0.58) ALDH1A1MAPTTDP1CYP1A2L3MBTL1
SCHEMBL2564268 0.74 SRC (0.45) ALDH1A1MAPTTDP1CYP1A2L3MBTL1
SCHEMBL524215 0.73 KMT2A (0.55) ALDH1A1MAPTTDP1CYP1A2L3MBTL1
SCHEMBL13221149 0.73 ALDH1A1 (0.53) ALDH1A1MAPTTDP1CYP1A2L3MBTL1
SCHEMBL15771884 0.72 ALDH1A1 (0.51) ALDH1A1MAPTTDP1CYP1A2L3MBTL1

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