SCHEMBL2561545

SCHEMBL2561545

Cc1ccc(C(C#N)C=O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2553737 0.79 ALDH1A1 (0.40) ESR1ESR2HPGDHTTTP53
SCHEMBL2554823 0.76 ALDH1A1 (0.43) ESR1ESR2HTTTP53ALDH1A1
SCHEMBL11307453 0.74 SLC6A3 (0.50) HTTLMNAALDH1A1
SCHEMBL11328746 0.74 ALDH1A1 (0.41) ESR1ESR2HTTTP53LMNA
SCHEMBL2556425 0.74 TDP1 (0.39) HPGDHTTTP53LMNAALDH1A1
SCHEMBL1057669 0.74 ACHE (0.54) HTTLMNAALDH1A1
SCHEMBL25767055 0.72 LMNA (0.39) ESR1ESR2HPGDHTTTP53
SCHEMBL27711085 0.72 LMNA (0.39) HPGDTP53LMNAALDH1A1
SCHEMBL4441582 0.71 AKR1C3 (0.49) LMNA
SCHEMBL1726592 0.71 ALDH1A1 (0.33) HPGDTP53LMNAALDH1A1

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