SCHEMBL25829279

SCHEMBL25829279

C#CCCCON(C(=O)[C@@H](N)[C@@H](C)CC)[C@H](CC(O[Si](C)(C)C(C)(C)C)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.35
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL28633849 1.00 ABCB1 (0.35) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL28633853 1.00 ABCB1 (0.35) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL22154694 0.91 ABCB1 (0.36) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL28634045 0.89 ABCB1 (0.33) ABCB1
SCHEMBL22154599 0.89 ABCB1 (0.33) ABCB1
SCHEMBL28923615 0.88 ABCB1 (0.36) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL28923611 0.88 ABCB1 (0.36) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL22154261 0.88 ABCB1 (0.41) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL28642360 0.88 ABCB1 (0.41) ABCB1MEN1NPC1ALDH1A1MAPT
SCHEMBL28629473 0.82 FAP (0.35) ABCB1

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-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed