SCHEMBL29447197

SCHEMBL29447197

O=C(O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.55
CA1 P00915 7/20 0.55
CA12 O43570 6/20 0.55
CA9 Q16790 6/20 0.55
CA14 Q9ULX7 5/20 0.55
CA3 P07451 3/20 0.55
CA4 P22748 3/20 0.55
CA6 P23280 3/20 0.55
CA5A P35218 3/20 0.55
CA7 P43166 3/20 0.55
CA13 Q8N1Q1 3/20 0.55
CA5B Q9Y2D0 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
CES1 P23141 2/20 0.52
HSD11B1 P28845 1/20 0.50

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
SCHEMBL687530 0.82 CA1 (0.59) CA2CA1CA12CA9CA14
SCHEMBL29891245 0.82 CA1 (0.53) CA2CA1CA12CA9CA14
SCHEMBL30724830 0.82 MAPK1 (0.57) CA2CA1CA12CA9CA14
SCHEMBL29371266 0.82 CA1 (0.53) CA2CA1CA12CA9CA14
Hydrogen Peroxide SCHEMBL28789390 0.79 ALDH1A1 (0.72) CA2CA1TDP1CES1CES2
SCHEMBL8415518 0.79 HSD11B1 (0.67) CA2CA1CA12CA9CA14
SCHEMBL29501073 0.78 CA2 (0.53) CA2CA1CA12CA9CA14
Ammonia Solution, Strong SCHEMBL8416593 0.77 HSD11B1 (0.65) CA2CA1CA12CA9CA14
SCHEMBL22038769 0.77 POLB (0.59) CA2CA1CA12CA9CA14
Sulfuric Acid SCHEMBL28654341 0.77 CA1 (0.62) CA2CA1CA12CA9CA14

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
EP-4179425-B1 METHOD FOR TRANSMITTING A SOFTWARE APPLICATION FROM A FIRST TO A SECOND DATA PROCESSING DEVICE SIEMENS AG (DE) 2025-08-20 EP disclosed
EP-4010766-B1 METHOD FOR GENERATING A DIGITAL TWIN OF A SYSTEM OR DEVICE SIEMENS AG (DE) 2025-07-30 EP disclosed
EP-4209336-A1 HEATING BELLOWS DEVICE FOR A TYRE HEATING PRESS DEVICE FOR VULCANISING A VEHICLE TYRE Siemens Aktiengesellschaft (DE) 2023-07-12 EP disclosed
EP-4179425-A1 METHOD FOR TRANSFERRING A SOFTWARE APPLICATION FROM A FIRST TO A SECOND DATA PROCESSING DEVICE Siemens Aktiengesellschaft (DE) 2023-05-17 EP disclosed
CN-115429932-A Composite material, preparation method and application 上海交通大学医学院附属第九人民医院 2022-12-06 CN disclosed
EP-4010766-A1 METHOD FOR GENERATING A DIGITAL TWIN OF A SYSTEM OR DEVICE Siemens Aktiengesellschaft (DE) 2022-06-15 EP disclosed
WO-2022058153-A1 METHOD FOR TRANSFERRING A SOFTWARE APPLICATION FROM A FIRST TO A SECOND DATA PROCESSING DEVICE SIEMENS AKTIENGESELLSCHAFT (DE) 2022-03-24 WO disclosed
EP-3968152-A1 METHOD FOR TRANSMITTING A SOFTWARE APPLICATION FROM A FIRST TO A SECOND DATA PROCESSING DEVICE Siemens Aktiengesellschaft (DE) 2022-03-16 EP disclosed