SCHEMBL30270448

SCHEMBL30270448

COc1cccc(F)c1-c1ccc(S(=O)(=O)NCCN2CCC(CN=[N+]=[N-])CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 5/20 0.43
▸ ADRA1B P35368 5/20 0.43
▸ HTR1A P08908 7/20 0.43
▸ HTR7 P34969 6/20 0.43
▸ DRD2 P14416 4/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL26218354 0.94 ADRA1A (0.44) ADRA1AADRA1BHTR1AHTR7DRD2
SCHEMBL26213163 0.91 KDM4E (0.41) HTR1AHTR7DRD2HTR6SIGMAR1
SCHEMBL30270490 0.88 ADRA1A (0.45) ADRA1AADRA1BHTR1AHTR7DRD2
SCHEMBL26213175 0.87 SRC (0.46) HTR1AHTR7DRD2HTR6SIGMAR1
SCHEMBL26213157 0.87 HTR1A (0.48) ADRA1AADRA1BHTR1AHTR7DRD2
SCHEMBL30270444 0.86 HTR1A (0.37) HTR1AHTR7DRD2HTR6SIGMAR1
SCHEMBL26213193 0.86 HTR1A (0.37) HTR1AHTR7DRD2HTR6SIGMAR1
SCHEMBL26213178 0.83 HTR7 (0.47) HTR1AHTR7DRD2HTR6SIGMAR1
SCHEMBL26218485 0.83 ADRA1A (0.45) ADRA1AADRA1BHTR1AHTR7HTR6
SCHEMBL30270553 0.83 HTR6 (0.49) ADRA1AADRA1BHTR1AHTR6HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115843271-B Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2024-08-13 — — CN disclosed
EP-4175718-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 2023-05-10 — — EP disclosed
CN-115843271-A Indole derivatives and their use for the treatment of cancer 克洛德贝纳尔-里昂第一大学 2023-03-24 — — CN disclosed
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