SCHEMBL6957475

SCHEMBL6957475

[CH2]CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 3/20 0.46
CA4 P22748 1/20 0.42
AADAT Q8N5Z0 1/20 0.38
MAPK1 P28482 1/20 0.36
AHR P35869 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CES1 P23141 2/20 0.33
APAF1 O14727 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7216276 0.79 S100A4 (0.47) CA9ALDH1A1APAF1KDM4EMEN1
SCHEMBL14468669 0.77 ALDH1A1 (0.51) CA9CA1CA2CA12CA4
SCHEMBL31458661 0.77 CASP3 (0.53) CA9CA1CA2CA12CA4
SCHEMBL9182920 0.76 CA1 (0.49) CA9CA1CA2CA12CA4
SCHEMBL27519884 0.73 CA9 (0.41) CA9CA1CA2CA12CA4
SCHEMBL4464067 0.72 ALDH1A1 (0.43) CA9CA1CA2CA12CA4
SCHEMBL14876139 0.72 CA12 (0.60) CA9CA1CA2CA12AADAT
SCHEMBL121199 0.71 ALDH1A1 (0.55) CA9CA12ALDH1A1KDM4EMAPT
SCHEMBL14560531 0.71 CA1 (0.45) CA9CA1CA2CA12CA4
SCHEMBL6957181 0.71 PARK7 (0.45) CA9CA1CA2HSD17B10KDM4E

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-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP claimed
EP-0898562-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-03-03 EP claimed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US claimed
WO-1997032846-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1997-09-12 WO claimed
EP-0898562-B1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION UPJOHN CO (US) 2003-01-22 EP disclosed
EP-0898562-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-03-03 EP disclosed
US-5712300-A ENZYME INHIBITOR PHARMACIA & UPJOHN COMPANY (US) 1998-01-27 US disclosed
WO-1997032846-A1 HYDROXAMIC ACID DERIVATIVES FOR USE WITH THE TREATMENT OF DISEASES RELATED TO CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1997-09-12 WO disclosed