SCHEMBL22508698

SCHEMBL22508698

[N-]=[N+]=NCCNC(=O)NCCSCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PRMT1 Q99873 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ FOLH1 Q04609 2/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL22508832 0.84 TSHR (0.36) LMNAHSD17B10TSHR
SCHEMBL20275215 0.83 PRMT1 (0.44) PRMT1
SCHEMBL22508837 0.82 LMNA (0.41) LMNAKMT2AHSD17B10TDP1TSHR
SCHEMBL22508707 0.80 LMNA (0.39) LMNAKMT2AHSD17B10TDP1
SCHEMBL16446954 0.80 NOS2 (0.44) —
SCHEMBL17852276 0.80 NOS2 (0.44) —
SCHEMBL28260909 0.80 NOS2 (0.44) —
SCHEMBL20275376 0.73 PHF8 (0.40) LMNAKMT2ATSHRFOLH1
SCHEMBL22508720 0.71 KMT2A (0.47) LMNAKMT2AHSD17B10TDP1PRMT1
SCHEMBL20275340 0.70 TSHR (0.44) LMNAKMT2APRMT1TSHR

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
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 — — EP disclosed
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