SCHEMBL2556951

SCHEMBL2556951

O=Cc1ccccc1OC1CCCCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SRC P12931 2/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
DDB1 Q16531 4/20 0.35
CRBN Q96SW2 4/20 0.35
KDM4E B2RXH2 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2557305 0.82 SRC (0.43) ALDH1A1SRCPSEN1PSEN2APH1B
SCHEMBL2556336 0.82 NPC1 (0.36) ALDH1A1KMT2AMEN1KDM4EPSEN1
SCHEMBL2561769 0.80 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KDM4ECYP1A2
SCHEMBL2554401 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AGAALMNA
SCHEMBL29954901 0.79 MEN1 (0.39) ALDH1A1HPGDKMT2AMEN1DDB1
SCHEMBL29346880 0.78 DDB1 (0.35) ALDH1A1HPGDGAADDB1CRBN
SCHEMBL31729987 0.76 ALDH1A1 (0.42) ALDH1A1HPGDHTTSMN1; SMN2ADRA2A
SCHEMBL29956283 0.74 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNADDB1
SCHEMBL5302703 0.74 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2SRC
SCHEMBL2555346 0.73 SRC (0.38) SRCGAADDB1CRBNPSEN1

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