SCHEMBL7952054

SCHEMBL7952054

COC(=O)c1cc(I)c(O)c(I)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.42
ABL1 P00519 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
GAA P10253 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FUT7 Q11130 1/20 0.39

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
SCHEMBL8073817 0.81 SOS1 (0.46) CFTRABL1CA12CA1CA2
SCHEMBL15797284 0.81 CFTR (0.48) CFTRABL1GAAKDM4EPOLB
SCHEMBL1043966 0.78 TP53 (0.45) CA1CA2KDM4ELMNATDP1
SCHEMBL3224195 0.77 ABL1 (0.45) CFTRABL1CA12CA1CA2
SCHEMBL25289329 0.77 GAA (0.46) CFTRABL1CA12CA1CA2
SCHEMBL23898722 0.76 ABL1 (0.46) CFTRABL1CA12CA1CA2
SCHEMBL26799507 0.75 PLAU (0.47) CFTRCA12CA1CA2CA7
SCHEMBL15390859 0.75 ABL1 (0.46) CFTRABL1CA12CA1CA2
SCHEMBL14666358 0.75 CFTR (0.53) CFTRABL1CA12CA1CA2
SCHEMBL15903170 0.75 CFTR (0.53) CFTRABL1CA12CA1CA2

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
US-6262123-B1 AS ANTIARRHYTHMIC AGENTS HAVING CARDIOPROTECTIVE COMPONENT, FOR PROPHYLAXIS AND TREATMENT OF INFARCTION AND ANGINA PECTORIS; FOR INHIBITION OF PATHOPHYSIOLOGICAL PROCESSES ASSOCIATED WITH GENESIS OF ISCHEMICALLY INDUCED DAMAGE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-07-17 US disclosed