SCHEMBL2561989

SCHEMBL2561989

Cc1cc(C=O)ccc1N1CCCC(C(N)=O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
ALDH1A3 P47895 4/20 0.60
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 1/20 0.47
PBK Q96KB5 1/20 0.45
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
USP2 O75604 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
EIF2AK4 Q9P2K8 1/20 0.39

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
SCHEMBL2558977 0.85 ALDH1A1 (0.60) ALDH1A1ALDH1A3KDM4EHSD17B10HPGD
SCHEMBL2557677 0.85 ALDH1A1 (0.62) ALDH1A1ALDH1A3KDM4EGAAMEN1
SCHEMBL2451467 0.82 TSHR (0.56) ALDH1A1KDM4EHSD17B10HPGDPBK
SCHEMBL2557505 0.79 TRIM24 (0.54) ALDH1A1KDM4EHSD17B10PBKGAA
SCHEMBL2558933 0.78 PBK (0.49) ALDH1A1KDM4EHSD17B10PBKGAA
SCHEMBL2560790 0.78 ALDH1A1 (0.44) ALDH1A1ALDH1A3KDM4EHSD17B10HPGD
SCHEMBL2559298 0.78 ALDH1A3 (0.55) ALDH1A1ALDH1A3HPGDGAAMEN1
SCHEMBL2552969 0.78 PBK (0.46) ALDH1A1KDM4EHSD17B10HPGDPBK
SCHEMBL4079761 0.77 ALDH1A1 (1.00) ALDH1A1ALDH1A3KDM4EHPGDGAA
SCHEMBL2556192 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDPBK

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