SCHEMBL28577342

SCHEMBL28577342

Clc1ccccc1-c1nnc(Nc2ccccc2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.73
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
NPC1 O15118 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PKM P14618 2/20 0.55
TP53 P04637 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HDAC1 Q13547 2/20 0.53
RAB9A P51151 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RXFP1 Q9HBX9 1/20 0.50
LIMK1 P53667 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL6155925 0.88 GUSB (0.70) GUSBHPGDALDH1A1KDM4EHSD17B10
SCHEMBL23220354 0.88 RAB9A (0.58) GUSBHPGDALDH1A1KDM4EHSD17B10
SCHEMBL23220335 0.82 NPC1 (0.64) GUSBHPGDALDH1A1KDM4EHSD17B10
SCHEMBL28569834 0.81 ALDH1A1 (0.54) GUSBALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL28569835 0.80 ALDH1A1 (0.55) GUSBALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL1346538 0.80 RAB9A (0.51) GUSBHPGDALDH1A1NPC1SMN1; SMN2
SCHEMBL11666704 0.78 RAB9A (0.59) HPGDALDH1A1KDM4EHSD17B10NPC1
SCHEMBL12015939 0.77 NPC1 (0.73) HPGDALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL28571808 0.77 RAB9A (0.59) GUSBHPGDALDH1A1KDM4ENPC1
SCHEMBL21065048 0.75 ALDH1A1 (0.62) GUSBHPGDALDH1A1KDM4EHSD17B10

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