SCHEMBL7076245

SCHEMBL7076245

C#CN1C(=O)c2cccc(F)c2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GRM1 Q13255 12/20 0.38
GRM4 Q14833 10/20 0.38
ALPL P05186 1/20 0.37
GRM7 Q14831 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL9550344 0.82 DDB1 (0.40) DDB1CRBNCA1CA2CA7
SCHEMBL29350375 0.76 POLB (0.43) CA2CA9MEN1KMT2ACYP1A2
SCHEMBL1414506 0.76 POLB (0.43) CA2CA9MEN1KMT2ACYP1A2
SCHEMBL7079743 0.75 S100A4 (0.54) DDB1CRBNCA1CA2CA7
Formaldehyde SCHEMBL28703568 0.75 HDAC4 (0.37) CA2CA9HDAC4HDAC8HDAC6
SCHEMBL9279014 0.73 DDB1 (0.44) DDB1CRBNCA1CA2CA7
SCHEMBL30725964 0.72 MEN1 (0.53) DDB1CRBNCA1CA2CA7
SCHEMBL9853616 0.72 ERCC1 (0.52) DDB1CRBNCA1CA2CA7
SCHEMBL7568712 0.72 DDB1 (0.43) DDB1CRBNCA1CA2CA7
SCHEMBL8418554 0.72 MEN1 (0.53) DDB1CRBNCA1CA2CA7

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 1 patent. 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