SCHEMBL19203574

SCHEMBL19203574

CC(C)[C@H](NC(=S)NCCOCCOCCC(=O)ON1C(=O)CCC1=O)C(N)=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL18122900 0.85 SIRT5 (0.36) —
SCHEMBL21534501 0.83 SIRT5 (0.33) —
SCHEMBL19170464 0.81 SIRT5 (0.31) —
SCHEMBL19203576 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19170723 0.79 SMN1; SMN2 (0.34) MEN1KMT2A
SCHEMBL19203517 0.77 HPGD (0.33) MEN1KMT2A
SCHEMBL12197747 0.76 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL18532465 0.76 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL22202997 0.76 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1
SCHEMBL13056639 0.76 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1

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-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 — — WO disclosed
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