SCHEMBL29952407

SCHEMBL29952407

Nc1ccc(C=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
EP300 Q09472 2/20 0.46
KAT8 Q9H7Z6 2/20 0.46
HDAC3 O15379 1/20 0.46
KAT2B Q92831 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
TSHR P16473 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42

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
SCHEMBL2647457 1.00 IDO1 (0.46) IDO1EP300KAT8HDAC3KAT2B
Hydrochloric Acid SCHEMBL17509631 0.98 IDO1 (0.45) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL9099854 0.86 ALDH1A1 (0.59) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL29951906 0.86 ALDH1A1 (0.59) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL982388 0.85 KMT2A (0.61) IDO1ALDH1A1TDP1TSHRMEN1
SCHEMBL29786760 0.85 KMT2A (0.61) IDO1ALDH1A1TDP1TSHRMEN1
SCHEMBL5749096 0.79 ALDH1A1 (0.43) IDO1ALDH1A1TDP1TSHRMEN1
SCHEMBL2459975 0.78 MEN1 (0.46) IDO1ALDH1A1TDP1TSHRMEN1
SCHEMBL23105529 0.77 IDO1 (0.46) IDO1EP300KAT8HDAC3KAT2B
SCHEMBL4555169 0.77 IDO1 (0.46) IDO1EP300KAT8HDAC3KAT2B

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