SCHEMBL29132609

SCHEMBL29132609

CC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.70
▸ LMNA P02545 6/20 0.68
▸ CA1 P00915 3/20 0.68
▸ CA2 P00918 2/20 0.68
▸ CA7 P43166 2/20 0.68
▸ HTT P42858 1/20 0.68
▸ CA12 O43570 1/20 0.68
▸ CA4 P22748 1/20 0.68
▸ CA6 P23280 1/20 0.68
▸ CA5A P35218 1/20 0.68
▸ CA9 Q16790 1/20 0.68
▸ CA14 Q9ULX7 1/20 0.68
▸ CA5B Q9Y2D0 1/20 0.68
▸ ALDH1A1 P00352 4/20 0.60
▸ CYP2C9 P11712 3/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ ADRA2B P18089 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CYP3A4 P08684 3/20 0.57
▸ KMT2A Q03164 2/20 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
SCHEMBL29376961 1.00 TDP1 (0.70) TDP1LMNACA1CA2CA7
SCHEMBL30561865 0.83 LMNA (0.79) TDP1LMNACA1CA2CA7
Ethiazide SCHEMBL122238 0.83 TDP1 (1.00) TDP1LMNACA1CA2CA7
Ethiazide SCHEMBL30561875 0.83 TDP1 (1.00) TDP1LMNACA1CA2CA7
SCHEMBL29132639 0.83 LMNA (0.79) TDP1LMNACA1CA2CA7
SCHEMBL13685945 0.81 TDP1 (0.79) TDP1LMNACA1CA2CA7
Trichlormethiazide SCHEMBL25493 0.81 LMNA (1.00) TDP1LMNACA1CA2CA7
Trichlormethiazide SCHEMBL25492 0.81 LMNA (1.00) TDP1LMNACA1CA2CA7
Trichlormethiazide SCHEMBL29356280 0.81 LMNA (1.00) TDP1LMNACA1CA2CA7
Teclothiazide SCHEMBL309921 0.81 LMNA (0.65) TDP1LMNACA1CA2CA7

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
Send feedback