SCHEMBL4778710

SCHEMBL4778710

CC(C)(C(N)=O)C(C)(Cl)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP1A2 P05177 2/20 0.47
KCNN4 O15554 8/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HTT P42858 1/20 0.41
CYP2D6 P10635 2/20 0.40

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
SCHEMBL1817185 0.79 MAPT (0.63) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL9211554 0.77 MAPT (0.54) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL11842568 0.76 CYP1A2 (0.70) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL17555374 0.76 CYP1A2 (0.52) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL368343 0.74 MAPT (1.00) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL29159698 0.74 MAPT (0.68) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL2781433 0.74 MAPT (0.68) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL4556174 0.74 MAPT (0.56) MAPTKMT2ACYP1A2KCNN4TSHR
SCHEMBL4560916 0.73 MAPT (0.55) MAPTKMT2ACYP1A2KCNN4CYP2C19
SCHEMBL1706268 0.72 MAPT (0.65) MAPTKMT2ACYP1A2KCNN4CYP2C19

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-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed