SCHEMBL25918192

SCHEMBL25918192

C[C@@H]1CCN=C(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
RAB9A P51151 2/20 0.39
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 2/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL25319906 1.00 CHRNB4 (0.46) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL25319908 1.00 CHRNB4 (0.46) CHRNB4CHRNA3NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL25319887 0.86 PGR (0.37) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL25322709 0.82 MAPT (0.36) CHRNB4CHRNA3RAB9AMAOAMAOB
SCHEMBL20956576 0.81 NOS3 (0.41) NOS3NOS1NOS2MAOAMAOB
SCHEMBL28299833 0.80 NISCH (0.44) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL20993641 0.79 NISCH (0.42) NOS3NOS1NOS2RAB9ANISCH
SCHEMBL19844022 0.77 CHRNB4 (0.46) CHRNB4CHRNA3RAB9AMAOAMAOB
SCHEMBL24233743 0.77 NOS3 (0.49) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL895819 0.69 CHRNB4 (0.67) CHRNB4CHRNA3RAB9AKDM4EGAA

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed