SCHEMBL25070535

SCHEMBL25070535

Cc1nc2c(-c3ccc(-c4ccc(N(C)C)cc4F)cc3)c3nsnc3c(-c3ccc(-c4ccc(N(C)C)cc4F)cc3)c2nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 2/20 0.36
▸ APP P05067 5/20 0.34
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ ADK P55263 2/20 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
SCHEMBL25070323 0.83 ESR1 (0.36) APP
SCHEMBL25070665 0.77 MAOB (0.37) LMNAMAPTHTTSMN1; SMN2MAOB
SCHEMBL25070427 0.76 GCGR (0.37) MAOB
SCHEMBL25070534 0.74 RARB (0.31) —
SCHEMBL20182372 0.72 HEXA (0.35) LMNAKDM4EALDH1A1HPGD
SCHEMBL13555449 0.72 ALDH1A1 (0.34) PSMB5APPLMNAKMT2ANPC1
SCHEMBL25070429 0.71 RARB (0.35) PSMB5
SCHEMBL25070478 0.70 ESR1 (0.40) APPLMNAKMT2ANPC1RAB9A
SCHEMBL711589 0.70 MAPT (0.45) APPLMNAKMT2ANPC1RAB9A
SCHEMBL25070414 0.69 APP (0.35) APPLMNAKMT2ANPC1RAB9A

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
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
Send feedback