Sugi Predict

Sugi Predict / Compounds / SCHEMBL9580943

SCHEMBL9580943

SCHEMBL9580943

NC(=S)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.54
▸ TDP1 Q9NUW8 5/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 4/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ MITF O75030 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RORC P51449 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL22890327 0.83 KMT2A (0.64) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL346217 0.83 KMT2A (0.64) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL28310341 0.82 KMT2A (0.58) CYP3A4ALOX15TSHRKMT2AHTT
SCHEMBL3821486 0.82 ALDH1A1 (0.56) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL2667983 0.81 GAA (0.55) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL377824 0.79 ALDH1A1 (0.77) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL6890670 0.79 KMT2A (0.73) GAAALDH1A1TDP1CYP3A4ALOX15
SCHEMBL11483217 0.79 ALDH1A1 (0.53) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL10967272 0.79 ALDH1A1 (0.58) GAATHRBALDH1A1TDP1CYP3A4
SCHEMBL30279828 0.78 MAPT (0.68) GAAALDH1A1KMT2AHTTMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-211964179-U Reaction kettle for synthesizing 5-nitro-2-amino thiobenzamide 杭州布朗生物医药科技有限公司 2020-11-20 — — CN claimed
CN-102070552-B Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof Zhejiang jihua group co ltd 2012-11-28 — — CN claimed
CN-102070552-A Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof Zhejiang jihua group co ltd 2011-05-25 — — CN claimed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 — — US claimed
JP-5320126-A — — None — — JP disclosed
CN-211964179-U Reaction kettle for synthesizing 5-nitro-2-amino thiobenzamide 杭州布朗生物医药科技有限公司 2020-11-20 — — CN disclosed
CN-211964179-U Reaction kettle for synthesizing 5-nitro-2-amino thiobenzamide 杭州布朗生物医药科技有限公司 2020-11-20 — — CN disclosed
CN-211964179-U Reaction kettle for synthesizing 5-nitro-2-amino thiobenzamide 杭州布朗生物医药科技有限公司 2020-11-20 — — CN disclosed
CN-110845434-A Continuous salt-free environment-friendly preparation method of scarlet powder 河北嘉泰化工科技有限公司 2020-02-28 — — CN disclosed
CN-102070552-B Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof Zhejiang jihua group co ltd 2012-11-28 — — CN disclosed
CN-102070552-A Preparation method of 3-amino-5-nitro-2, 1-benzisothiazole and diazonium salt thereof Zhejiang jihua group co ltd 2011-05-25 — — CN disclosed
JP-H05320126-A PRODUCTION OF 2-AMINO-5-NITROTHIOBENZAMIDE KAWAGUCHI KAGAKU KOGYO KK 1993-12-03 — — JP disclosed
US-4012305-A DIMERIZATION OF STYRENES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-03-15 — — US disclosed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 — — US disclosed
US-3981883-A Manufacture of 3-amino-2,1-benzisothiazoles BASF AKTIENGESELLSCHAFT (DT) 1976-09-21 — — US disclosed