SCHEMBL7069488

SCHEMBL7069488

O=C(N[C@H]1CCCC[C@H]1C(=O)O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.61
F10 P00742 9/20 0.56
PYGL P06737 6/20 0.55
F2 P00734 4/20 0.55
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
EHMT2 Q96KQ7 1/20 0.53
MLLT1 Q03111 1/20 0.52

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
SCHEMBL5260262 0.91 F10 (0.59) SMYD3F10PYGLF2
SCHEMBL4360291 0.90 SMYD3 (0.63) SMYD3F10PYGLF2F7
SCHEMBL4363306 0.90 SMYD3 (0.63) SMYD3F10PYGLF2F7
SCHEMBL4360293 0.90 SMYD3 (0.63) SMYD3F10PYGLF2F7
SCHEMBL6834814 0.87 MLLT1 (0.53) SMYD3F10F2MLLT1
SCHEMBL5258969 0.87 MLLT1 (0.53) SMYD3F10F2MLLT1
SCHEMBL17149805 0.87 SMYD3 (0.62) SMYD3F10PYGLF2EHMT2
SCHEMBL12669925 0.86 F10 (0.71) SMYD3F10PYGLF2
SCHEMBL742890 0.86 SMYD3 (0.67) SMYD3F10PYGLF2EHMT2
SCHEMBL11888195 0.86 SMYD3 (0.61) SMYD3F10PYGLF2EHMT2

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-6747053-B2 Heteroaryl nitriles ROCHE PALO ALTO LLC 2004-06-08 US disclosed