SCHEMBL2561997

SCHEMBL2561997

Cc1ccc(OCc2ccccc2B(O)O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 4/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ENPP2 Q13822 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LIPE Q05469 1/20 0.42
CD274 Q9NZQ7 2/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2558927 0.91 MAPT (0.46) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL2561433 0.87 MRGPRX4 (0.60) MRGPRX4MAPTENPP2
SCHEMBL2554682 0.85 L3MBTL1 (0.47) MRGPRX4MAPTRAB9AL3MBTL1NPC1
SCHEMBL2563255 0.85 SMN1; SMN2 (0.46) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2557860 0.84 SLC6A2 (0.49) MRGPRX4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2561187 0.83 TP53 (0.56) MRGPRX4MAPTRAB9AL3MBTL1NPC1
SCHEMBL2555102 0.83 FFAR1 (0.49) MAPTRAB9AL3MBTL1NPC1HPGD
SCHEMBL8620573 0.81 L3MBTL1 (0.52) MRGPRX4MAPTRAB9AL3MBTL1ATM
SCHEMBL2558164 0.81 KMT2A (0.47) MAPTATMNPC1NPSR1SMN1; SMN2
SCHEMBL2556867 0.80 ENPP2 (0.51) MRGPRX4MAPTRAB9ANPC1HPGD

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