SCHEMBL28573286

SCHEMBL28573286

Cc1ccc(-c2nnc(Nc3ccc(C(F)(F)F)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
P2RY1 P47900 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.44
GUSB P08236 1/20 0.43
KIF11 P52732 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL28575615 0.87 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBALDH1A1NPSR1
SCHEMBL28587308 0.85 HDAC6 (0.60) PIK3CDPIK3CAPIK3CBHPGDMEN1
SCHEMBL28578701 0.85 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL28569839 0.84 ALDH1A1 (0.50) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL28574866 0.80 HDAC6 (0.61) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL1981416 0.76 HPGD (0.54) HPGDMEN1KMT2AKIF11
SCHEMBL20214047 0.75 HDAC1 (0.51) PIK3CDPIK3CAPIK3CBALDH1A1HPGD
SCHEMBL23610351 0.75 ALOX5 (0.76) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL5813654 0.74 P2RY1 (0.47) PIK3CDPIK3CAPIK3CBALDH1A1P2RY1
SCHEMBL28915208 0.74 NPC1 (0.63) PIK3CDPIK3CAPIK3CBALDH1A1HPGD

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