SCHEMBL29957069

SCHEMBL29957069

Cc1ccc(C)c2c(C=O)c(C3CCCCC3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPY5R Q15761 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30
DYRK1A Q13627 1/20 0.30
ERN1 O75460 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
SCHEMBL29955666 0.92 KDM4E (0.41) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL29954922 0.81 DYRK1A (0.35) KDM4EMAPTKMT2AALDH1A1JAK2
SCHEMBL29951956 0.81 TRIM24 (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL29956872 0.77 HTT (0.33) MEN1KMT2AALDH1A1JAK2JAK1
SCHEMBL29954538 0.77 FFAR2 (0.34) JAK2JAK1TYK2JAK3DYRK1A
SCHEMBL29953493 0.75 MAPT (0.41) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL29952619 0.75 TRIM24 (0.43) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL29952259 0.75 STING1 (0.36) KDM4EMAPTALDH1A1
SCHEMBL29957135 0.74 ERN1 (0.37) KDM4EMAPTALDH1A1JAK2JAK1
SCHEMBL29953410 0.72 CYP1A2 (0.46) KDM4EMAPTMEN1KMT2ALMNA

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 1 patent. 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