SCHEMBL27409838

SCHEMBL27409838

CS(=O)(=O)c1ncc(C#CCCCC(=O)NCc2cn(CCOCCCNC(=O)COCC(=O)O)nn2)cn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ BCHE P06276 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
SCHEMBL23193195 0.96 OPRM1 (0.34) FOLH1OPRM1MMP2MMP9MMP8
SCHEMBL22561301 0.81 — —
SCHEMBL21137502 0.80 MMP2 (0.30) MMP2MMP9MMP8MMP13
SCHEMBL27189806 0.78 FOLH1 (0.34) FOLH1OPRM1MMP2MMP9MMP8
SCHEMBL22561265 0.78 — —
SCHEMBL22561476 0.77 FOLH1 (0.34) FOLH1OPRM1
SCHEMBL25045543 0.76 PARP14 (0.31) —
SCHEMBL22618763 0.76 FOLH1 (0.34) FOLH1OPRM1
SCHEMBL31697409 0.74 EPHX2 (0.36) TSHRSMN1; SMN2
SCHEMBL25696350 0.74 EPHX2 (0.36) TSHRSMN1; SMN2

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
WO-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
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