SCHEMBL31316643

SCHEMBL31316643

Nc1ccccc1N1c2ccccc2Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
BCHE P06276 5/20 0.47
ACHE P22303 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NOX1 Q9Y5S8 2/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
PIM1 P11309 1/20 0.43
USP2 O75604 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
SCHEMBL31316644 1.00 MAOA (0.50) MAOABCHEACHEMEN1KMT2A
SCHEMBL30012201 0.75 HDAC6 (0.54) MAOABCHEACHEMEN1KMT2A
SCHEMBL19151907 0.75 HDAC6 (0.54) MAOABCHEACHEMEN1KMT2A
SCHEMBL12190901 0.75 HDAC6 (0.62) MAOABCHEACHEMEN1KMT2A
SCHEMBL29851224 0.75 HDAC6 (0.62) MAOABCHEACHEMEN1KMT2A
SCHEMBL29988246 0.74 MGLL (0.50) MAOABCHEACHENOX1PIM1
SCHEMBL2501177 0.74 BCHE (0.50) MAOABCHEACHEMEN1KMT2A
SCHEMBL14483072 0.74 MGLL (0.50) MAOABCHEACHEMEN1KMT2A
SCHEMBL14550947 0.74 MGLL (0.50) MAOABCHEACHENOX1PIM1
SCHEMBL17171663 0.74 MGLL (0.39) MAOABCHEACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025008828-A1 THERMALLY REVERSIBLE DUAL-STATE LUMINESCENT ORGANIC DONOR-ACCEPTOR CONJUGATES AND METHOD THEREOF SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2025-01-09 WO disclosed