SCHEMBL2556561

SCHEMBL2556561

NC(=O)c1ccccc1N1CCCC(CC(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
PTPN1 P18031 1/20 0.52
GAA P10253 1/20 0.45
RPS6KB1 P23443 2/20 0.45
IDH1 O75874 10/20 0.43
AKT1 P31749 1/20 0.43
MEN1 O00255 1/20 0.42
PLA2G1B P04054 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
LTA4H P09960 2/20 0.42
SYK P43405 1/20 0.41
HSD11B1 P28845 1/20 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
SCHEMBL2558871 0.80 NPC1 (0.61) NPC1GAAMEN1KMT2A
SCHEMBL11908438 0.80 NPC1 (0.65) NPC1GAAMEN1KMT2ASYK
SCHEMBL2558173 0.80 FFAR4 (0.47) PTPN1IDH1MEN1PLA2G1BKMT2A
SCHEMBL3076822 0.79 GAA (0.70) NPC1GAAMEN1KMT2A
SCHEMBL3958950 0.78 NPC1 (0.49) NPC1PTPN1GAARPS6KB1AKT1
SCHEMBL3953520 0.78 NPC1 (0.49) NPC1PTPN1GAARPS6KB1AKT1
SCHEMBL3953517 0.78 NPC1 (0.49) NPC1PTPN1GAARPS6KB1AKT1
SCHEMBL2561960 0.78 ALDH1A1 (0.59) PTPN1GAAMEN1KMT2A
SCHEMBL3654065 0.75 NPC1 (0.96) NPC1PTPN1GAAMEN1KMT2A
SCHEMBL31565663 0.75 NPC1 (0.96) NPC1PTPN1GAAMEN1KMT2A

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