SCHEMBL27708263

SCHEMBL27708263

O=C(O)c1ccc(N2CCN(C(=O)c3ccccc3N[SH](=O)=O)CC2)nn1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 15/20 0.52
▸ DCTPP1 Q9H773 2/20 0.49

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
SCHEMBL937123 0.82 HTT (0.61) SCDDCTPP1
SCHEMBL938368 0.80 SCD (0.53) SCDDCTPP1
SCHEMBL939188 0.80 HSD17B10 (0.62) SCDDCTPP1
SCHEMBL936603 0.78 SLC6A7 (0.55) SCD
SCHEMBL936620 0.77 SCD (0.51) SCDDCTPP1
SCHEMBL935839 0.77 SCD (0.77) SCDDCTPP1
SCHEMBL937326 0.77 SCD (0.51) SCDDCTPP1
SCHEMBL937862 0.76 SCD (0.50) SCDDCTPP1
SCHEMBL937239 0.76 LMNA (0.55) SCDDCTPP1
SCHEMBL936462 0.76 SMN1; SMN2 (0.53) SCDDCTPP1

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
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 — — CN disclosed
CN-101160289-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-04-09 — — CN disclosed
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