SCHEMBL30270433

SCHEMBL30270433

[N-]=[N+]=NCC1CCN(CCNS(=O)(=O)Cc2cccc(Br)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 5/20 0.43
▸ CARM1 Q86X55 4/20 0.43
▸ PRMT8 Q9NR22 1/20 0.43
▸ KDM1A O60341 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ MBTD1 Q05BQ5 1/20 0.35
▸ L3MBTL3 Q96JM7 1/20 0.35

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
SCHEMBL26213120 1.00 PRMT6 (0.43) PRMT6CARM1PRMT8KDM1AHDAC6
SCHEMBL30270456 0.89 CARM1 (0.43) PRMT6CARM1KDM1AHDAC6SLC6A2
SCHEMBL26213112 0.89 CARM1 (0.43) PRMT6CARM1KDM1AHDAC6SLC6A2
SCHEMBL26213116 0.88 KDM1A (0.43) PRMT6CARM1KDM1AHDAC6SLC6A2
SCHEMBL26213169 0.82 CYP3A4 (0.43) PRMT6CARM1KDM1AHDAC6L3MBTL1
SCHEMBL26213111 0.81 L3MBTL1 (0.42) PRMT6CARM1KDM1AHDAC6SLC6A2
SCHEMBL26213109 0.79 KDM1A (0.41) PRMT6CARM1KDM1AHDAC6SLC6A2
SCHEMBL26213680 0.77 PRMT6 (0.50) PRMT6CARM1PRMT8SLC6A2SLC6A4
SCHEMBL26213056 0.76 KDM1A (0.53) KDM1AHTR1AHTR7SIGMAR1
SCHEMBL30270494 0.75 HTR7 (0.54) HTR1AHTR7

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
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
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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