SCHEMBL29111064

SCHEMBL29111064

COc1cc2c(Oc3ccc([N+](=O)[O-])cc3)cnnc2cc1OCC1CCN(S(N)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ EGFR P00533 12/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL30646047 1.00 PDGFRA (0.42) PDGFRAKDRHTTRECQLSMN1; SMN2
SCHEMBL30646062 0.89 EGFR (0.44) EGFRKIT
SCHEMBL28428993 0.86 EGFR (0.41) EGFRKIT
SCHEMBL28423107 0.86 KDR (0.45) PDGFRAKDRACHEBACE1EGFR
SCHEMBL30646060 0.86 KDR (0.45) PDGFRAKDRACHEBACE1EGFR
SCHEMBL29111046 0.84 PDGFRA (0.43) PDGFRAKDRACHEBACE1EGFR
SCHEMBL28423290 0.83 EGFR (0.43) EGFR
SCHEMBL30646063 0.83 EGFR (0.43) EGFR
SCHEMBL28426760 0.77 SIGMAR1 (0.43) HTTRECQLSMN1; SMN2SIGMAR1CA1
SCHEMBL29111055 0.76 PDGFRA (0.48) PDGFRAKDRSMN1; SMN2

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-111253385-B Heterocyclic compound, preparation method and application 遵义医科大学珠海校区 2023-11-24 — — CN disclosed
Send feedback