SCHEMBL2561822

SCHEMBL2561822

O=CC1CCCN(CC(=O)NCCc2cccs2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADAM10 O14672 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
HSD11B1 P28845 1/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL2559638 0.89 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2558292 0.87 ALDH1A1 (0.52) ADAM17ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL15329986 0.78 ADAM17 (0.49) ADAM17SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL2560224 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL15333265 0.76 NPC1 (0.45) ALDH1A1LMNASMN1; SMN2NPC1MEN1
SCHEMBL15330401 0.75 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2
SCHEMBL29952957 0.75 HTT (0.58) ALDH1A1LMNASMN1; SMN2NPC1RAB9A
SCHEMBL2553761 0.75 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2562910 0.74 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLB
SCHEMBL29952645 0.73 SIGMAR1 (0.43) ALDH1A1MEN1KMT2A

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