SCHEMBL28573287

SCHEMBL28573287

Fc1ccc(-c2nnc(Nc3ccccc3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
NPC1 O15118 9/20 0.59
RAB9A P51151 9/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
NPY5R Q15761 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
KDM4E B2RXH2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.54
ROCK1 Q13464 1/20 0.51
CSNK2A2 P19784 1/20 0.50
CSNK2A1 P68400 1/20 0.50
HDAC1 Q13547 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
MAPT P10636 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
PSMD14 O00487 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL28574645 0.93 HDAC6 (0.61) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL12015939 0.88 NPC1 (0.73) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL28569839 0.84 ALDH1A1 (0.50) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL28593202 0.83 NPC1 (0.59) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL28571808 0.83 RAB9A (0.59) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL28578701 0.83 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL23220335 0.82 NPC1 (0.64) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL28575615 0.81 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL28915208 0.80 NPC1 (0.63) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL23220346 0.79 NPC1 (0.67) PIK3CDPIK3CAPIK3CBNPC1RAB9A

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
CN-112981436-B Method for synthesizing 2-amino-1, 3, 4-thiadiazole derivative through electrochemical oxidation 昆明学院 2022-02-01 CN claimed
CN-112981436-A Method for synthesizing 2-amino-1, 3, 4-thiadiazole derivative through electrochemical oxidation 昆明学院 2021-06-18 CN claimed
CN-112981436-B Method for synthesizing 2-amino-1, 3, 4-thiadiazole derivative through electrochemical oxidation 昆明学院 2022-02-01 CN disclosed
CN-112981436-A Method for synthesizing 2-amino-1, 3, 4-thiadiazole derivative through electrochemical oxidation 昆明学院 2021-06-18 CN disclosed