SCHEMBL29214134

SCHEMBL29214134

CC(C)N1c2ccc(N)cc2Sc2ccc(N)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ ADRA2B P18089 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ SNCA P37840 1/20 0.45
▸ IDO1 P14902 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ THRB P10828 2/20 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
SCHEMBL26625024 0.89 DRD3 (0.55) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL29214097 0.77 NOX1 (0.77) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL27750061 0.75 NOX1 (0.48) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL29214090 0.73 NOX1 (0.53) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL17356848 0.73 HSD17B3 (0.35) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL9419165 0.72 NOX1 (0.82) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL29214102 0.71 SNCA (0.53) NOX1MEN1KMT2AL3MBTL1SNCA
SCHEMBL30867067 0.71 SNCA (0.53) NOX1MEN1KMT2AL3MBTL1SNCA
Bromide SCHEMBL2588570 0.70 HTR2A (0.39) NOX1MEN1KMT2AADRA2AADRA2B
SCHEMBL627482 0.70 MAOA (0.58) NOX1KMT2AADRA2AADRA2BADRA2C

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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