SCHEMBL25920105

SCHEMBL25920105

FC(F)(F)[C@H]1CCCC(c2ccccc2)=N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.49
▸ NOS2 P35228 4/20 0.49
▸ NOS3 P29474 2/20 0.49
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ MBD2 Q9UBB5 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PGR P06401 2/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31

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
SCHEMBL25323166 1.00 NOS1 (0.49) NOS1NOS2NOS3CHRNB4CHRNA3
SCHEMBL25323163 1.00 NOS1 (0.49) NOS1NOS2NOS3CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL25325870 0.91 NOS3 (0.41) NOS1NOS2NOS3CHRNB4CHRNA3
SCHEMBL25323286 0.82 NOS3 (0.35) NOS1NOS2NOS3CHRNB4CHRNA3
SCHEMBL20835498 0.72 CHRNB4 (0.46) NOS1NOS2NOS3CHRNB4CHRNA3
SCHEMBL5889295 0.71 NOS1 (0.54) NOS1NOS2NOS3CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8871069 0.68 CHRNB4 (0.41) CHRNB4CHRNA3SMN1; SMN2NPC1MAPT
SCHEMBL24367106 0.66 CHRNB4 (0.42) NOS1NOS2NOS3CHRNB4CHRNA3
SCHEMBL28949545 0.65 CHRNB4 (0.31) CHRNB4CHRNA3
SCHEMBL22546622 0.64 NISCH (0.41) NOS1NOS2NOS3CHRNB4CHRNA3

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
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