SCHEMBL29212389

SCHEMBL29212389

CP(C)Oc1cc(F)c(N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30661038 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13195018 0.77 ALDH1A1 (0.41) ALDH1A1
Phosphine SCHEMBL24870128 0.76 GAA (0.41) ALDH1A1
SCHEMBL14453810 0.72 TLR8 (0.36) ALDH1A1
SCHEMBL3255484 0.72 MAPT (0.47) ALDH1A1
SCHEMBL1099578 0.72 ALDH1A1 (0.53) ALDH1A1
SCHEMBL1766204 0.70 NPC1 (0.46) ALDH1A1
SCHEMBL22804322 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29568555 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10523458 0.70 PDE2A (0.40) ALDH1A1

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
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 — — CN disclosed
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