SCHEMBL1871077

SCHEMBL1871077

CC(C(N)=O)(c1ccccc1)c1cccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 13/20 0.55
▸ KCNE1 P15382 1/20 0.54
▸ KCNQ1 P51787 1/20 0.54
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ 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
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CES2 O00748 1/20 0.37
▸ BCHE P06276 1/20 0.37

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
SCHEMBL5186852 0.78 HDAC3 (0.40) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL3860550 0.78 KCNN4 (0.46) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL28151671 0.78 KCNN4 (0.68) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL14663469 0.77 KMT2A (0.43) KCNN4KCNE1KCNQ1KMT2ACHRM3
SCHEMBL2781433 0.77 MAPT (0.68) KCNN4MAPTKMT2AHDAC3HDAC4
SCHEMBL28589452 0.77 MAPT (0.53) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL4447301 0.76 KMT2A (0.49) KCNN4KCNE1KCNQ1MAPTKMT2A
SCHEMBL27347246 0.76 KMT2A (0.49) KCNN4KCNE1KCNQ1MAPTKMT2A
Hydrochloric Acid SCHEMBL29096654 0.75 MAPT (0.65) KCNN4MAPTKMT2AHDAC3HDAC4
Bromomethane SCHEMBL3192554 0.75 CYP2C9 (0.46) KCNN4KCNE1KCNQ1HDAC3HDAC4

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-2011051243-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-05-05 — — WO disclosed
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