SCHEMBL11767293

SCHEMBL11767293

CC(=Cc1ccc(Cl)cc1)C(N)=NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 9/20 0.68
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ CYP2C9 P11712 1/20 0.41

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
Ap18 5 SCHEMBL1962033 0.81 TRPA1 (1.00) TRPA1HDAC3HDAC4HDAC1HDAC7
Ap18 5 SCHEMBL1499479 0.81 TRPA1 (1.00) TRPA1HDAC3HDAC4HDAC1HDAC7
Ap18 5 SCHEMBL12552586 0.81 TRPA1 (1.00) TRPA1HDAC3HDAC4HDAC1HDAC7
Ap18 5 SCHEMBL29357634 0.81 TRPA1 (1.00) TRPA1HDAC3HDAC4HDAC1HDAC7
Ap18 5 SCHEMBL1499542 0.81 TRPA1 (1.00) TRPA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4191604 0.76 TRPA1 (0.53) TRPA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10267027 0.76 TRPA1 (0.53) TRPA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22995639 0.72 TRPA1 (0.60) TRPA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22995643 0.72 TRPA1 (0.60) TRPA1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11715595 0.71 TRPA1 (0.58) TRPA1HDAC3HDAC4HDAC1HDAC7

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-4012377-A ANTIMICROBIAL, PARASITICIDES GLAXO LABORATORIES LIMITED (EN) 1977-03-15 — — US disclosed
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