SCHEMBL29951634

SCHEMBL29951634

Cc1ccc(-c2[nH]c3c(C)ccc(C)c3c2C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
CYP2A6 P11509 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ERN1 O75460 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL15329808 0.88 BRD4 (0.37) KDM4EMAPTMEN1KMT2ABRD4
SCHEMBL29953299 0.88 TNKS2 (0.37) KDM4EPTGS2ALDH1A1LMNA
SCHEMBL29957064 0.85 KDM4E (0.34) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL15331202 0.85 TYR (0.39) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL29952044 0.83 MAPT (0.49) ADORA2AADORA2BMAPTMEN1KMT2A
SCHEMBL29953116 0.82 KDM4E (0.37) KDM4EMAPTMEN1KMT2AERN1
SCHEMBL15332255 0.81 KDM4E (0.39) KDM4EMAPTMEN1KMT2ACYP1A2
SCHEMBL2553502 0.81 ERN1 (0.39) KDM4EPTGS2ERN1
SCHEMBL2555181 0.78 KDM4E (0.35) KDM4EADORA2AADORA2BCYP2A6MAPT
SCHEMBL15330850 0.78 TRIM24 (0.43) KDM4EMAPTKMT2APTGS2POLB

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