SCHEMBL29922500

SCHEMBL29922500

[C-]#[N+]c1ccccc1CC(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL31056889 0.81 TDP1 (0.32) TDP1
SCHEMBL15773887 0.81 TDP1 (0.32) TDP1
SCHEMBL2662565 0.79 GABRA1 (0.47)
SCHEMBL18658983 0.72 TAAR1 (0.43)
SCHEMBL2616314 0.71 MGLL (0.42)
SCHEMBL3211513 0.71 IDO1 (0.45) TDP1
SCHEMBL31230581 0.71 HSPA5 (0.48)
SCHEMBL588658 0.71 ALDH1A1 (0.40) TDP1
SCHEMBL2478903 0.71 IDO1 (0.45)
SCHEMBL30719001 0.68 MGAM (0.36) TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143198-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2023-03-08 EP disclosed
EP-4058454-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-21 EP disclosed