SCHEMBL3789593

SCHEMBL3789593

OC(COCc1ccccc1)CC1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
AGER Q15109 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8116441 0.92 CA1 (0.55) CA1CA2CA7CA9POLB
SCHEMBL8116438 0.92 CA1 (0.55) CA1CA2CA7CA9POLB
SCHEMBL397022 0.82 CA1 (0.78) CA1CA2CA7CA9POLB
SCHEMBL31243296 0.81 CA1 (0.57) CA1CA2CA7CA9POLB
SCHEMBL8303709 0.81 CA1 (0.57) CA1CA2CA7CA9POLB
SCHEMBL21810800 0.80 CA1 (0.53) CA1CA2CA7CA9POLB
SCHEMBL3793373 0.80 POLB (0.41) CA1CA2CA7CA9POLB
SCHEMBL3788046 0.79 TSHR (0.44) CA1CA2CA7CA9POLB
SCHEMBL9662857 0.78 CA1 (0.54) CA1CA2CA7CA9POLB
SCHEMBL7153591 0.78 CA1 (0.76) CA1CA2CA7CA9POLB

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-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed