SCHEMBL8536343

SCHEMBL8536343

NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 2/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 1/20 0.49
CA2 P00918 4/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA9 Q16790 3/20 0.49
CA5A P35218 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 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
SCHEMBL19071950 0.87 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15CYP1A2
SCHEMBL2983082 0.85 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15CYP2C19
SCHEMBL28757542 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL10582813 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
Potassium Ion SCHEMBL2983136 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15CYP2C19
SCHEMBL2979886 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15CYP2C19
Potassium Ion SCHEMBL31252976 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7026429 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15CYP2C19
SCHEMBL7026439 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15CYP2C19
SCHEMBL2967553 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112125828-B Synthetic method of foramsulfuron intermediate 江苏省农用激素工程技术研究中心有限公司 2022-05-06 CN claimed
CN-112125828-A Synthetic method of foramsulfuron intermediate 江苏省农用激素工程技术研究中心有限公司 2020-12-25 CN claimed
CN-112125828-B Synthetic method of foramsulfuron intermediate 江苏省农用激素工程技术研究中心有限公司 2022-05-06 CN disclosed
CN-112125828-B Synthetic method of foramsulfuron intermediate 江苏省农用激素工程技术研究中心有限公司 2022-05-06 CN disclosed
CN-112125828-A Synthetic method of foramsulfuron intermediate 江苏省农用激素工程技术研究中心有限公司 2020-12-25 CN disclosed
CN-112125828-A Synthetic method of foramsulfuron intermediate 江苏省农用激素工程技术研究中心有限公司 2020-12-25 CN disclosed
EP-0562575-B1 N-substituted-3-(substituted hydrazino)-benzenesulfonamide derivative, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-09-16 EP disclosed
EP-0562575-A2 N-substituted-3-(substited hydrazino)-benzenesulfonamide derivatives, prepation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed