SCHEMBL8919663

SCHEMBL8919663

CC/C=C(C)/C=C\CNC(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 20/20 0.53

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
SCHEMBL3193145 0.77 SMYD3 (0.71) SMYD3
SCHEMBL3182622 0.76 SMYD3 (0.70) SMYD3
SCHEMBL4935353 0.74 SMYD3 (0.74) SMYD3
SCHEMBL27214662 0.73 SMYD3 (0.66) SMYD3
SCHEMBL3192766 0.72 SMYD3 (0.68) SMYD3
SCHEMBL16048824 0.72 SMYD3 (0.67) SMYD3
SCHEMBL3195105 0.72 CRBN (0.68) SMYD3
SCHEMBL6360379 0.72 SMYD3 (0.64) SMYD3
SCHEMBL3195896 0.71 SMYD3 (0.67) SMYD3
SCHEMBL27214657 0.71 SMYD3 (0.62) SMYD3

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-5691366-A UNSATURATED NITRO OXIME FORMED BY REACTION OF DINITROGEN TRIOXIDE WITH DIOLEFIN ETHER, SULFIDE OR AMINE TO BE USED AS VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed