SCHEMBL2558062

SCHEMBL2558062

C=CCNC(=O)COc1c(Br)cccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 5/20 0.49
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 6/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 1/20 0.42
STAT1 P42224 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 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
SCHEMBL15330937 0.84 ALDH1A1 (0.45) SMN1; SMN2RAB9AHTTHPGDNPC1
SCHEMBL2557724 0.82 SRC (0.50) SMN1; SMN2RAB9AHTTGAAGLA
SCHEMBL2559925 0.81 ALDH1A1 (0.48) SMN1; SMN2RAB9AHTTGAAGLA
SCHEMBL2559156 0.81 ALDH1A1 (0.43) SMN1; SMN2RAB9AHTTHPGDNPC1
SCHEMBL15329904 0.81 MAPT (0.40) RAB9AHPGDALDH1A1MEN1KMT2A
SCHEMBL2552641 0.81 MAPT (0.40) RAB9AHPGDNPC1ALDH1A1MEN1
SCHEMBL2558036 0.79 PTGDR2 (0.59) SMN1; SMN2RAB9AHTTGAAGLA
SCHEMBL2561402 0.78 PTGDR2 (0.57) HPGDALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL15330673 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AHTTHPGDNPC1
SCHEMBL2553883 0.76 CA1 (0.39) SMN1; SMN2RAB9AHTTHPGDNPC1

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