SCHEMBL29239398

SCHEMBL29239398

CN1CCCC1c1nc(NC(=O)C2CC2)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
HPGD P15428 2/20 0.44
HTR1A P08908 4/20 0.42
HTR1F P30939 4/20 0.42
HTR1D P28221 3/20 0.42
HTR1B P28222 3/20 0.42
ABL1 P00519 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL30173072 1.00 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL24992530 1.00 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL30173075 0.78 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL29239372 0.78 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL29239386 0.78 HTR1A (0.41) HPGDHTR1AHTR1FHTR1DHTR1B
SCHEMBL24992531 0.78 HTR1A (0.41) HPGDHTR1AHTR1FHTR1DHTR1B
SCHEMBL30173054 0.78 HTR1A (0.41) HPGDHTR1AHTR1FHTR1DHTR1B
SCHEMBL29239375 0.78 ADORA2B (0.40) ADORA2BADORA2AADORA1ADORA3HPGD
SCHEMBL29239385 0.77 KMT2A (0.41) ADORA3HPGDABL1NPC1RAB9A
SCHEMBL29239384 0.77 KMT2A (0.41) ADORA3HPGDABL1NPC1RAB9A

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
CN-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed