SCHEMBL29281237

SCHEMBL29281237

Cc1cnn(Cc2cccc(F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.52
SCD5 Q86SK9 9/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
DPP4 P27487 1/20 0.50
KLKB1 P03952 1/20 0.47
ADORA2B P29275 2/20 0.47
ALK Q9UM73 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
TAS2R8 Q9NYW2 2/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL25583758 0.85 ALDH1A1 (0.54) L3MBTL1KLKB1ADORA2BADORA2AADORA1
SCHEMBL21233349 0.83 KCNH2 (0.44) SCDSCD5KLKB1ALKTAS2R8
SCHEMBL25583879 0.83 SCD (0.53) SCDSCD5L3MBTL1KLKB1ADORA2B
SCHEMBL25583710 0.82 SCD (0.56) SCDSCD5L3MBTL1KLKB1ADORA2B
SCHEMBL19087042 0.81 L3MBTL1 (0.51) SCD5L3MBTL1KLKB1ADORA2BALK
SCHEMBL17397329 0.81 L3MBTL1 (0.50) SCDSCD5L3MBTL1ADORA2BALK
SCHEMBL3616273 0.81 MAPT (0.65) SCDSCD5L3MBTL1KLKB1ADORA2B
Hydrochloric Acid SCHEMBL21523747 0.80 MAPT (0.68) SCDSCD5L3MBTL1KLKB1ADORA2B
SCHEMBL130830 0.80 L3MBTL1 (0.62) SCDSCD5L3MBTL1KLKB1ADORA2A
SCHEMBL21121159 0.80 SCD (0.51) SCDSCD5L3MBTL1KLKB1ADORA2B

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
CN-117881669-A Condensed ring heteroaryl compounds and uses thereof 比西切姆有限公司 2024-04-12 CN disclosed