SCHEMBL21276820

SCHEMBL21276820

CO[N+]1(CCCOc2ccc(C#Cc3ccc(NC=O)cc3)c(F)c2)CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ACACB O00763 4/20 0.31
▸ APP P05067 2/20 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
SCHEMBL21276756 0.90 L3MBTL1 (0.35) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21276719 0.80 HRH3 (0.48) —
SCHEMBL21276683 0.79 RET (0.49) —
SCHEMBL21276762 0.78 APP (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21276700 0.77 APP (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21276721 0.74 MCHR1 (0.43) ACACB
SCHEMBL21276814 0.69 EPHX2 (0.51) ACACB
SCHEMBL17443376 0.69 RET (0.50) —
SCHEMBL21276807 0.68 RET (0.52) —
SCHEMBL21276708 0.67 HRH3 (0.59) ACACB

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-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 — — EP disclosed
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