SCHEMBL15330705

SCHEMBL15330705

CCC[C@H](N)c1cc(C=O)ccn1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.34
ALDH1A1 P00352 3/20 0.33
ROCK1 Q13464 1/20 0.32
ALDH1A3 P47895 3/20 0.32
ALDH3A1 P30838 2/20 0.32
FDPS P14324 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL15330394 1.00 IRAK4 (0.34) IRAK4ALDH1A1ROCK1ALDH1A3ALDH3A1
SCHEMBL15329939 0.91 CA2 (0.34) ALDH1A1ALDH1A3ALDH3A1
SCHEMBL2559960 0.91 CA2 (0.34) ALDH1A1ALDH1A3ALDH3A1
SCHEMBL15329693 0.87 ALDH1A1 (0.35) ALDH1A1ALDH1A3ALDH3A1FDPS
SCHEMBL2560556 0.87 ALDH1A1 (0.35) ALDH1A1ALDH1A3ALDH3A1FDPS
SCHEMBL2560016 0.82 FDPS (0.30) FDPS
SCHEMBL15332272 0.82 FDPS (0.30) FDPS
SCHEMBL2558546 0.81 KDM4E (0.32) ALDH1A1
SCHEMBL2560998 0.81 KDM4E (0.32) ALDH1A1
SCHEMBL2554581 0.78 TYR (0.35) ALDH1A1ALDH1A3FDPS

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 5 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