SCHEMBL2558497

SCHEMBL2558497

OB(O)c1cncc(-c2cccc(N3CCOCC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.47
▸ KMO O15229 1/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ PLOD2 O00469 2/20 0.43
▸ PLOD3 O60568 2/20 0.43
▸ PLOD1 Q02809 2/20 0.43
▸ AR P10275 1/20 0.43
▸ AGXT P21549 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DHFR P00374 2/20 0.40
▸ CHEK1 O14757 2/20 0.40
▸ ATR Q13535 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL2557306 0.87 MAPK10 (0.45) RPS6KA3LRRK2MKNK1MKNK2FYN
SCHEMBL11992439 0.80 LRRK2 (0.48) RPS6KA3KMOLRRK2PLOD2PLOD3
SCHEMBL14910832 0.80 LRRK2 (0.48) RPS6KA3KMOLRRK2PLOD2PLOD3
SCHEMBL13671979 0.79 LRRK2 (0.43) RPS6KA3KMOLRRK2PLOD2PLOD3
SCHEMBL29957858 0.79 LRRK2 (0.43) RPS6KA3KMOLRRK2PLOD2PLOD3
SCHEMBL875323 0.77 KMO (0.55) KMOPLOD2PLOD3PLOD1AR
Hydrochloric Acid SCHEMBL1677086 0.76 KMO (0.54) KMOPLOD2PLOD3PLOD1AR
SCHEMBL11210288 0.74 LMNA (0.68) KMOLRRK2ARAGXTLMNA
SCHEMBL3728634 0.74 RPS6KA3 (0.46) RPS6KA3KMOLRRK2PLOD2PLOD3
SCHEMBL29077217 0.73 LMNA (0.49) RPS6KA3KMOLRRK2ARAGXT

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
Send feedback