SCHEMBL9879652

SCHEMBL9879652

NC(=O)C(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 1/20 0.45
KCNN4 O15554 9/20 0.41
KIF11 P52732 1/20 0.39
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2462307 0.83 MAPT (0.48) MAPTKMT2AKCNN4KIF11CYP1A2
SCHEMBL28710857 0.80 MAPT (0.52) MAPTKMT2AKCNN4KIF11CYP1A2
SCHEMBL10825012 0.78 KCNN4 (0.48) MAPTKMT2AKCNN4KIF11CYP1A2
SCHEMBL6906467 0.76 KDM4E (0.55) MAPTKMT2AKCNN4CYP1A2GAA
SCHEMBL3038981 0.74 ALDH1A1 (0.46) MAPTKMT2AKCNN4KIF11GAA
SCHEMBL26605882 0.74 KCNN4 (0.44) MAPTKMT2AKCNN4KIF11CYP1A2
SCHEMBL4078488 0.74 KCNN4 (0.44) MAPTKMT2AKCNN4KIF11TSHR
SCHEMBL8226385 0.74 KCNN4 (0.50) MAPTKMT2AKCNN4KIF11CYP1A2
SCHEMBL31370489 0.73 CYP1A2 (0.58) MAPTKMT2AKCNN4KIF11CYP1A2
SCHEMBL2392133 0.73 KIF11 (0.44) MAPTKMT2AKCNN4KIF11POLB

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
WO-1991002040-A1 CYCLODEXTRIN LABELS FOR NUCLEIC ACID AND BIOCHEMICAL ANALYSIS KOSAK KENNETH M (US) 1991-02-21 WO disclosed