SCHEMBL29214097

SCHEMBL29214097

CN1c2ccc(N)cc2Sc2ccc(N)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 7/20 0.77
▸ L3MBTL1 Q9Y468 2/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ ADRA2A P08913 1/20 0.77
▸ ADRA2B P18089 1/20 0.77
▸ ADRA2C P18825 1/20 0.77
▸ CHRM3 P20309 1/20 0.77
▸ SLC6A2 P23975 1/20 0.77
▸ HTR2C P28335 1/20 0.77
▸ SLC6A4 P31645 1/20 0.77
▸ DRD3 P35462 1/20 0.77
▸ HTR2B P41595 1/20 0.77
▸ SNCA P37840 4/20 0.66
▸ MAOA P21397 1/20 0.48
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ IDO1 P14902 1/20 0.42

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
SCHEMBL9419165 0.92 NOX1 (0.82) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL628732 0.87 NOX1 (1.00) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL14872052 0.78 MAPT (0.60) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL29214090 0.77 NOX1 (0.53) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL29214134 0.77 NOX1 (0.53) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL2756770 0.76 NOX1 (0.50) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL12626152 0.74 NOX1 (0.49) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL10645594 0.74 MEN1 (0.49) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL26036705 0.73 SNCA (0.66) NOX1L3MBTL1MEN1KMT2AADRA2A
SCHEMBL19816451 0.73 NOX1 (0.68) NOX1L3MBTL1MEN1KMT2AADRA2A

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-113754606-B Phenoxazine diamine derivative and/or phenothiazine diamine derivative and preparation method thereof 南京工业大学 2024-03-29 — — CN disclosed
CN-113754606-A Phenoxazinediamine derivatives and/or phenothiazine diamine derivatives and preparation method thereof 南京工业大学 2021-12-07 — — CN disclosed
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