SCHEMBL23299844

SCHEMBL23299844

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2cc(F)cc(F)c2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.33
▸ ADRB2 P07550 2/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ADRA2A P08913 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ HTR2B P41595 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL22156035 0.93 BCHE (0.35) KIF11BCHEACHEKDM4E
SCHEMBL22157818 0.90 AR (0.35) —
SCHEMBL22156843 0.88 KIF11 (0.31) KIF11SLC6A2SLC6A4SLC6A3
SCHEMBL23299832 0.87 MAP4K4 (0.31) —
SCHEMBL22157856 0.87 NR3C1 (0.39) ACHE
SCHEMBL22156886 0.86 KIF11 (0.31) KIF11
SCHEMBL22157853 0.85 — —
SCHEMBL22156034 0.85 KIF11 (0.37) KIF11KDM4E
SCHEMBL22157889 0.85 AKR1C4 (0.33) KIF11BCHEACHEKDM4E
SCHEMBL22156057 0.83 PTGES (0.34) KIF11ADRB2BCHEACHEKDM4E

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
EP-3635070-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-04-28 — — EP disclosed
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