SCHEMBL25921954

SCHEMBL25921954

CC(c1ccccc1)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VKORC1 Q9BQB6 1/20 0.38
▸ TYR P14679 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL22048340 0.84 DAO (0.40) IDO1TDO2ACHEKMT2AMEN1
SCHEMBL29173228 0.83 KMT2A (0.38) VKORC1TYRKMT2AMEN1TAAR1
SCHEMBL21910183 0.78 TAAR1 (0.36) IDO1TDO2ACHEKMT2AMEN1
SCHEMBL30411144 0.77 IDO1 (0.50) TYRIDO1TDO2ACHEKMT2A
SCHEMBL16154382 0.77 IDO1 (0.50) TYRIDO1TDO2ACHEKMT2A
SCHEMBL17071857 0.77 IDO1 (0.50) TYRIDO1TDO2ACHEKMT2A
SCHEMBL17071859 0.77 IDO1 (0.50) TYRIDO1TDO2ACHEKMT2A
SCHEMBL3088422 0.74 TSHR (0.41) VKORC1TYRACHEKMT2ATAAR1
SCHEMBL7499823 0.74 TAAR1 (0.50) TYRKMT2ATAAR1ADRA2AADRA2C
SCHEMBL169730 0.74 TAAR1 (0.50) TYRKMT2ATAAR1ADRA2AADRA2C

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-3814348-B9 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-11-01 — — EP disclosed
EP-3814348-B1 SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 — — EP disclosed
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