SCHEMBL2552401

SCHEMBL2552401

C#CCNC(=O)COc1ccc(C=O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.75
SMN1; SMN2 Q16637 2/20 0.70
POLB P06746 2/20 0.66
FDPS P14324 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 1/20 0.51
MAPT P10636 3/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL2560553 0.95 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL15331054 0.89 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL29953109 0.88 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL29952641 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL15330644 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL2559313 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBKDM4EKMT2A
SCHEMBL15331508 0.84 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL2552984 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL29957827 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL2562037 0.82 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBFDPSKDM4E

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