SCHEMBL30482129

SCHEMBL30482129

CCNCc1nccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
HTR1B P28222 2/20 0.44
PLAU P00749 2/20 0.43
F12 P00748 1/20 0.43
NCF1 P14598 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CCR4 P51679 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7334545 1.00 CYP2A6 (0.47) CYP2A6HTR1BPLAUF12NCF1
SCHEMBL2311388 0.89 PLAU (0.48) CYP2A6PLAUF12NCF1NOS3
SCHEMBL25376432 0.89 S100A4 (0.39) CYP2A6HTR1BPLAUF12NCF1
SCHEMBL17264864 0.82 CYP2A6 (0.50) CYP2A6HTR1BPLAUF12NCF1
SCHEMBL30179063 0.80 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL4066216 0.80 CYP2A6 (0.52) CYP2A6PLAUF12NCF1NOS3
SCHEMBL30327401 0.80 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
SCHEMBL873259 0.80 CYP2A6 (0.55) CYP2A6PLAUF12NCF1NOS3
SCHEMBL13959292 0.79 CYP2A6 (0.47) CYP2A6PLAUF12NCF1NOS3
Bromide SCHEMBL5146590 0.78 CYP2A6 (0.53) CYP2A6PLAUF12NCF1NOS3

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
EP-4469438-A1 COMPOUNDS AND METHODS OF USE Tango Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed