SCHEMBL2561474

SCHEMBL2561474

C#CCNC(=O)COc1c(OC)cc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 2/20 0.40
EGFR P00533 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL29956477 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL532027 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL2558921 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL15331745 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL15330685 0.81 MAPT (0.51) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL5340763 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL29087050 0.78 ALDH1A1 (0.49) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL14835718 0.76 ALDH1A1 (0.50) ALDH1A1MAPK1POLBSMN1; SMN2MAPT
SCHEMBL2560553 0.76 ALDH1A1 (0.67) ALDH1A1POLBSMN1; SMN2MAPTLMNA
SCHEMBL2552401 0.76 ALDH1A1 (0.75) ALDH1A1POLBSMN1; SMN2MAPTHPGD

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