SCHEMBL23064407

SCHEMBL23064407

[N-]=[N+]=NCCCCC(NN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.40
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ ALB P02768 3/20 0.31
▸ IDUA P35475 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
SCHEMBL1824034 0.79 FOLH1 (0.45) FOLH1
SCHEMBL1824031 0.79 FOLH1 (0.45) FOLH1
SCHEMBL30361214 0.78 FOLH1 (0.41) FOLH1ALB
SCHEMBL8594034 0.77 MME (0.42) FOLH1
SCHEMBL13448062 0.73 FOLH1 (0.39) FOLH1ALBIDUA
SCHEMBL16446180 0.73 FOLH1 (0.39) FOLH1ALBIDUA
SCHEMBL38654695 0.72 C3AR1 (0.45) FOLH1ITGB1
SCHEMBL29631981 0.71 KDM4E (0.42) FOLH1
SCHEMBL31549503 0.71 TGFBR1 (0.37) —
SCHEMBL29024437 0.71 KMT2A (0.43) FOLH1

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-3334760-B1 CAPPED AND UNCAPPED ANTIBODY CYSTEINES, AND THEIR USE IN ANTIBODY-DRUG CONJUGATION PFIZER (US) 2021-03-10 — — EP claimed
Send feedback