SCHEMBL29976176

SCHEMBL29976176

COc1cc(F)c(C2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MAPK1 P28482 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40

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
SCHEMBL22025650 1.00 MAPT (0.46) MAPTMAPK1TDP1ALDH1A1LMNA
SCHEMBL23153813 0.82 MAPT (0.43) MAPTMAPK1TDP1ALDH1A1LMNA
SCHEMBL29661436 0.80 ALDH1A1 (0.50) MAPTTDP1ALDH1A1LMNATUBB4A
SCHEMBL517768 0.80 ALDH1A1 (0.50) MAPTTDP1ALDH1A1LMNATUBB4A
SCHEMBL31757016 0.79 ALDH1A1 (0.51) MAPTTDP1ALDH1A1LMNATUBB4A
SCHEMBL30801468 0.79 ALDH1A1 (0.48) MAPTTDP1ALDH1A1LMNATUBB4A
SCHEMBL12458650 0.79 ALDH1A1 (0.48) MAPTTDP1ALDH1A1LMNATUBB4A
SCHEMBL4647775 0.77 ATM (0.44) MAPTMAPK1TDP1ALDH1A1LMNA
SCHEMBL29508908 0.76 ALDH1A1 (0.46) MAPTMAPK1TDP1ALDH1A1LMNA
SCHEMBL310694 0.76 ALDH1A1 (0.46) MAPTMAPK1TDP1ALDH1A1LMNA

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
WO-2025067509-A1 EGFR DEGRADANT, AND PREPARATION METHOD AND USE THEREFOR 石药集团中奇制药技术(石家庄)有限公司 2025-04-03 WO disclosed
WO-2022228547-A1 PHOSPHONYL DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-11-03 WO disclosed