SCHEMBL29693308

SCHEMBL29693308

O=C(c1ccc(Br)cc1)c1cccc2c1Nc1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.48
KMT2A Q03164 5/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 2/20 0.45
SNCA P37840 2/20 0.45
NOX1 Q9Y5S8 2/20 0.45
CYBB P04839 1/20 0.45
APP P05067 1/20 0.45
NOX3 Q9HBY0 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
MARK4 Q96L34 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
BCHE P06276 2/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 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
SCHEMBL28797027 1.00 AKR1C3 (0.48) AKR1C3KMT2AMAPTMEN1GAA
SCHEMBL2803233 0.89 GAA (0.47) AKR1C3KMT2AMAPTMEN1GAA
SCHEMBL27607313 0.87 NOX1 (0.55) KMT2AMAPTMEN1GAAALOX15
SCHEMBL28797026 0.83 MARK4 (0.46) AKR1C3KMT2AMAPTMEN1GAA
SCHEMBL28255885 0.80 L3MBTL1 (0.45) AKR1C3KMT2AMAPTMEN1GAA
SCHEMBL5362784 0.78 NOX1 (0.52) KMT2AMAPTMEN1GAAALOX15
Benzene SCHEMBL28125613 0.78 ALOX5 (0.54) KMT2AMAPTMEN1GAAALOX15
SCHEMBL293434 0.78 ALOX5 (0.54) KMT2AMAPTMEN1GAAALOX15
SCHEMBL17180540 0.78 MAPT (0.44) KMT2AMAPTMEN1GAAALOX15
SCHEMBL7162110 0.77 NOX1 (0.50) KMT2AMAPTMEN1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773292-B Organic single-molecule double-emission material based on phenothiazine, and preparation and application thereof 太原理工大学 2023-12-26 CN claimed
CN-114773292-A Organic monomolecular dual-emission material based on phenothiazine and preparation and application thereof 太原理工大学 2022-07-22 CN claimed
CN-114773292-B Organic single-molecule double-emission material based on phenothiazine, and preparation and application thereof 太原理工大学 2023-12-26 CN disclosed
CN-114773292-A Organic monomolecular dual-emission material based on phenothiazine and preparation and application thereof 太原理工大学 2022-07-22 CN disclosed