SCHEMBL29132641

SCHEMBL29132641

NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCCCC1)NS2(=O)=O

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.98
▸ CYP2C9 P11712 3/20 0.98
▸ ADRA2B P18089 1/20 0.98
▸ TDP1 Q9NUW8 1/20 0.68
▸ ALDH1A1 P00352 4/20 0.62
▸ CYP1A2 P05177 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CYP3A4 P08684 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ CA2 P00918 3/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA7 P43166 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA6 P23280 1/20 0.57
▸ CA5A P35218 1/20 0.57
▸ CA9 Q16790 1/20 0.57

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
SCHEMBL30561876 1.00 LMNA (0.98) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclopenthiazide SCHEMBL49142 0.99 LMNA (1.00) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclopenthiazide SCHEMBL30561852 0.99 LMNA (1.00) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclopenthiazide SCHEMBL9505656 0.97 LMNA (0.96) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclopenthiazide SCHEMBL13723122 0.91 LMNA (0.85) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclopenthiazide SCHEMBL28832656 0.86 LMNA (0.76) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclopenthiazide SCHEMBL28142871 0.86 LMNA (0.76) LMNACYP2C9ADRA2BTDP1ALDH1A1
Cyclothiazide SCHEMBL28279779 0.85 LMNA (0.78) LMNACYP2C9ADRA2BTDP1ALDH1A1
SCHEMBL17471640 0.83 LMNA (0.72) LMNACYP2C9ADRA2BTDP1ALDH1A1
SCHEMBL13685945 0.82 TDP1 (0.79) LMNACYP2C9ADRA2BTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836130-B Synthesis method of 3, 4-dihydrobenzothiadiazine compound 嘉实(湖南)医药科技有限公司 2023-11-21 — — CN disclosed
CN-116836130-A Synthesis method of 3, 4-dihydrobenzothiadiazine compound 嘉实(湖南)医药科技有限公司 2023-10-03 — — CN disclosed
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