SCHEMBL25045545

SCHEMBL25045545

CS(=O)(=O)c1ncc(C#CCCCC(=O)I)cn1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP12 P39900 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
SCHEMBL25045553 0.87 FFAR1 (0.32) FFAR1FFAR4NPC1ALDH1A1TP53
SCHEMBL22551277 0.87 FFAR1 (0.40) FFAR1FFAR4ALDH1A1MAPTMMP2
SCHEMBL22618814 0.87 FFAR1 (0.32) FFAR1FFAR4NPC1ALDH1A1TP53
SCHEMBL25333564 0.86 ALDH1A1 (0.34) FFAR1FFAR4NPC1ALDH1A1TP53
SCHEMBL25046745 0.84 MMP2 (0.32) FFAR1FFAR4NPC1ALDH1A1TP53
SCHEMBL22618760 0.84 ITGB1 (0.41) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL21137867 0.84 CYP1A2 (0.34) FFAR1FFAR4NPC1ALDH1A1TP53
SCHEMBL31126510 0.84 ALDH1A1 (0.33) FFAR1FFAR4NPC1ALDH1A1TP53
SCHEMBL22561348 0.83 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL26550832 0.82 FFAR1 (0.34) FFAR1FFAR4MMP2MMP12

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-2023016488-A1 MICROTUBULE INHIBITOR-BASED ANTIBODY-DRUG CONJUGATE 昆山新蕴达生物科技有限公司 2023-02-16 — — WO disclosed
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