SCHEMBL13326329

SCHEMBL13326329

C#CCNC(=O)CCCC[C@H]1C[C@@H](NC(N)=O)CS1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.30
▸ TARDBP Q13148 1/20 0.30

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
SCHEMBL24701148 0.82 PRSS1 (0.34) —
SCHEMBL5569598 0.79 TDP1 (0.42) KMT2ATARDBP
SCHEMBL14484131 0.77 CA12 (0.32) —
SCHEMBL18994277 0.77 SMYD3 (0.44) KMT2ATARDBP
SCHEMBL13326328 0.73 — —
SCHEMBL15985021 0.71 EPHX1 (0.38) —
SCHEMBL17461769 0.71 CA12 (0.35) —
SCHEMBL15398345 0.69 ACHE (0.57) KMT2ATARDBP
SCHEMBL15398347 0.69 ACHE (0.57) KMT2ATARDBP
SCHEMBL17883988 0.68 USP2 (0.35) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 — — US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 — — US disclosed
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