SCHEMBL30356124

SCHEMBL30356124

O=C(F)c1ccc2nonc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA3 P42263 1/20 0.54
GRIA4 P48058 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
ENPP2 Q13822 2/20 0.50
EPHX2 P34913 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL548490 0.82 GRIA3 (0.56) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL548652 0.80 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
Hydrochloric Acid SCHEMBL562597 0.80 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL2733233 0.80 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL1708565 0.80 GRIA3 (0.54) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL9731669 0.76 ADORA3 (0.50) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL13689278 0.76 GAA (0.50) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL8237246 0.76 GRIA3 (0.50) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL12201007 0.76 ADORA3 (0.50) GRIA3GRIA4ADORA3ADORA2AADORA2B
SCHEMBL2834465 0.76 ADORA3 (0.61) GRIA3GRIA4ADORA3ADORA2AADORA2B

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-112174761-B Fluorination method 三明市海斯福化工有限责任公司 2023-03-24 CN disclosed