SCHEMBL2561797

SCHEMBL2561797

Cc1cc(C)c2c(C=O)c(-c3ccccc3C)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ERN1 O75460 1/20 0.40
ABCB1 P08183 1/20 0.38
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
CYP2A6 P11509 1/20 0.34

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
SCHEMBL15332636 0.88 TNKS2 (0.41) AHRMAPTMEN1KMT2AERN1
SCHEMBL15332499 0.88 TNKS (0.41) AHRMAPTMEN1KMT2AERN1
SCHEMBL2557296 0.83 GRIN2D (0.41) MAPTMEN1KMT2AERN1GRIN2D
SCHEMBL2561650 0.83 DHODH (0.39) AHRMAPTMEN1KMT2AERN1
SCHEMBL2555669 0.80 MAPT (0.38) AHRMAPTMEN1KMT2AERN1
SCHEMBL29956203 0.79 ERN1 (0.42) MAPTERN1GRIN2DGRIN3BGRIN1
SCHEMBL29952426 0.79 LMNA (0.40) AHRMAPTMEN1KMT2AERN1
SCHEMBL15330961 0.79 ERN1 (0.37) MAPTMEN1KMT2AERN1GRIN2D
SCHEMBL2554088 0.79 ALDH1A1 (0.39) MAPTMEN1KMT2AERN1GRIN2D
SCHEMBL29956862 0.78 ABCB1 (0.46) AHRMAPTMEN1KMT2AABCB1

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