SCHEMBL2557682

SCHEMBL2557682

O=CC(=NNc1ccccc1)C(=O)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.53
HTT P42858 1/20 0.47
LMNA P02545 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KCNK3 O14649 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PLOD1 Q02809 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 5/20 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
SCHEMBL2557680 1.00 MAPT (0.55) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2556704 0.89 MAPT (0.64) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2556700 0.89 MAPT (0.64) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2555108 0.86 MAPT (0.56) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL15332098 0.86 MAPT (0.74) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2558093 0.86 ALDH1A1 (0.57) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2558090 0.86 ALDH1A1 (0.57) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL15332096 0.86 MAPT (0.74) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2555107 0.86 MAPT (0.56) MAPTALDH1A1HTTLMNANPSR1
SCHEMBL2558356 0.82 MAPT (0.53) MAPTALDH1A1HTTLMNANPSR1

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