SCHEMBL2561472

SCHEMBL2561472

O=Cc1cc(-c2cccc(F)c2C(=O)O)cs1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DHODH Q02127 1/20 0.36
FOLH1 Q04609 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
LDHA P00338 2/20 0.35
BRS3 P32247 3/20 0.35
ERN1 O75460 1/20 0.35
NPC1 O15118 1/20 0.34
TTR P02766 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
EIF4E P06730 1/20 0.34

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
SCHEMBL2560868 0.83 CYP19A1 (0.39) FOLH1LDHATDP1
SCHEMBL2560241 0.83 ANO1 (0.42) MEN1KMT2ADHODHFOLH1NPC1
SCHEMBL2559374 0.77 TRIM24 (0.53) LTB4RLTB4R2CES2CES1FOLH1
SCHEMBL15333039 0.76 NPC1 (0.50) LTB4R2FOLH1ERN1NPC1EIF4E
SCHEMBL2553386 0.76 DRD1 (0.43) LTB4RLTB4R2CES2CES1FOLH1
SCHEMBL2559757 0.75 ERN1 (0.43) MEN1KMT2AERN1NPC1TTR
SCHEMBL2560151 0.75 ADH5 (0.46) ERN1EIF4E
SCHEMBL2557854 0.75 APP (0.40) CES2CES1TDP1
SCHEMBL1927711 0.74 FOLH1 (0.53) MEN1KMT2ALTB4RLTB4R2CES2
SCHEMBL2559350 0.74 POLB (0.50) MEN1KMT2AERN1NPC1TDP1

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