SCHEMBL8947253

SCHEMBL8947253

O=C(O)c1nc(-c2ccccc2F)ns1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ACMSD Q8TDX5 1/20 0.42
MAOA P21397 1/20 0.41
BLVRB P30043 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA2A P29274 3/20 0.40
FAAH O00519 1/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ADORA1 P30542 2/20 0.38
GPR35 Q9HC97 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8947073 0.82 TTR (0.46) NPC1RAB9AACMSDMAOABLVRB
SCHEMBL17960860 0.78 ADORA3 (0.54) NPC1RAB9AADORA3ADORA2AHTT
SCHEMBL8947213 0.73 LMNA (0.49) NPC1RAB9AADORA3FAAHHTT
SCHEMBL3767872 0.73 NPC1 (0.41) NPC1RAB9AFAAHPKMMEN1
SCHEMBL13002818 0.73 NPC1 (0.42) NPC1RAB9AADORA3ADORA2AFAAH
SCHEMBL9866354 0.73 MPL (0.40) NPC1RAB9AADORA3ADORA2AFAAH
SCHEMBL8947147 0.72 NPC1 (0.43) NPC1RAB9AACMSDMAOABLVRB
SCHEMBL8947243 0.72 PIN1 (0.49) FAAHSMN1; SMN2DHODH
SCHEMBL3772039 0.71 FAAH (0.62) NPC1RAB9AFAAH
SCHEMBL31401007 0.71 MPL (0.58) NPC1RAB9AACMSDHPGDMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583092-A PLANT ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1996-12-10 US disclosed
CN-1134936-A Herbicidal (1,2,4) thiadiazoles AMERICAN CYANAMID CO (US) 1996-11-06 CN disclosed
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed
EP-0726260-A1 Herbicidal (1,2,4)thiadiazoles AMERICAN CYANAMID COMPANY (US) 1996-08-14 EP disclosed