SCHEMBL29487551

SCHEMBL29487551

CCCSc1ccc(N)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 4/20 0.45
AR P10275 4/20 0.44
KMT2A Q03164 5/20 0.41
MCL1 Q07820 1/20 0.39
BCL2A1 Q16548 1/20 0.39
TP53 P04637 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 2/20 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
SCHEMBL8512890 1.00 CA12 (0.47) CA12CA1CA2CA7CA13
Hydrochloric Acid SCHEMBL11812617 0.98 CA12 (0.46) CA12CA1CA2CA7CA13
SCHEMBL11660362 0.88 MAOA (0.49) CA12CA1CA2CA7CA13
SCHEMBL10424194 0.85 THRB (0.43) MAOAMAOBMAPTARKMT2A
SCHEMBL11249663 0.82 CA12 (0.47) CA12CA1CA2CA7CA13
SCHEMBL11835307 0.82 MCL1 (0.38) CA12CA1CA2CA7CA13
SCHEMBL11630502 0.81 MEN1 (0.39) CA12CA1CA2CA7CA13
SCHEMBL11752648 0.80 MCL1 (0.37) MAPTARKMT2AMCL1BCL2A1
SCHEMBL10339714 0.80 AR (0.60) CA12CA1CA2CA7CA13
SCHEMBL11272357 0.80 SLC2A1 (0.49) MAOAMAPTKMT2AMCL1BCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039232-A Preparation method of albendazole 贵州中森医药有限公司 2024-11-29 CN claimed
CN-117624055-A Preparation method of albendazole for livestock 河北美荷药业有限公司 2024-03-01 CN claimed
CN-219922937-U Albendazole production is with alkylation reaction system 河北美荷药业有限公司 2023-10-31 CN claimed
CN-119039232-A Preparation method of albendazole 贵州中森医药有限公司 2024-11-29 CN disclosed
CN-119039232-A Preparation method of albendazole 贵州中森医药有限公司 2024-11-29 CN disclosed
CN-117624055-A Preparation method of albendazole for livestock 河北美荷药业有限公司 2024-03-01 CN disclosed
CN-117624055-A Preparation method of albendazole for livestock 河北美荷药业有限公司 2024-03-01 CN disclosed
CN-219922937-U Albendazole production is with alkylation reaction system 河北美荷药业有限公司 2023-10-31 CN disclosed
CN-219922937-U Albendazole production is with alkylation reaction system 河北美荷药业有限公司 2023-10-31 CN disclosed
CN-114207440-A PEGylated uricase formulations and dosages 西莱克塔生物科技公司 2022-03-18 CN disclosed