SCHEMBL23955941

SCHEMBL23955941

CNCCNC(=O)NCC(=O)NCCNC(=O)NCC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20879978 0.92 EPHX1 (0.37) EPHX1
SCHEMBL15984870 0.92 EPHX1 (0.37) EPHX1RECQLSMN1; SMN2ALDH1A1CA1
SCHEMBL16774245 0.83 RECQL (0.33) EPHX1RECQLSMN1; SMN2CA1CA2
SCHEMBL14756359 0.78 EPHX1 (0.46) EPHX1ALDH1A1MEN1KMT2A
SCHEMBL15984918 0.77 CA1 (0.41) RECQLSMN1; SMN2ALDH1A1CA1CA2
SCHEMBL12022309 0.77 CA1 (0.43) SMN1; SMN2ALDH1A1CA1CA2MEN1
SCHEMBL25668219 0.76 GAA (0.31) ALDH1A1CA1CA2
SCHEMBL813534 0.74 ALDH1A1 (0.30) EPHX1ALDH1A1
SCHEMBL21440819 0.74 CA1 (0.37) RECQLALDH1A1CA1CA2
SCHEMBL20887524 0.74 CA1 (0.37) RECQLALDH1A1CA1CA2

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-2596805-B1 Prodrug comprising a drug-linker conjugate ASCENDIS PHARMA AS (DK) 2021-10-27 EP disclosed