SCHEMBL9129362

SCHEMBL9129362

COC(=O)C1Cc2ccc(C(=O)CBr)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.47
KMT2A Q03164 2/20 0.42
PTPN1 P18031 5/20 0.40
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
F2 P00734 3/20 0.37
F10 P00742 1/20 0.37
BRD4 O60885 1/20 0.36
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9130024 0.86 KDM4E (0.45) GSK3BKMT2APTPN1GNG2GNB1
SCHEMBL11366826 0.81 ALDH1A1 (0.45) KMT2A
SCHEMBL15927445 0.80 GSK3B (0.46) GSK3BPTPN1GNG2GNB1
SCHEMBL30967946 0.78 KMT2A (0.40) KMT2A
SCHEMBL30437369 0.77 KMT2A (0.47) KMT2ABRD4
SCHEMBL1339915 0.77 KMT2A (0.47) KMT2ABRD4
SCHEMBL11361750 0.77 ELANE (0.46) KMT2AMEN1
SCHEMBL11370498 0.76 KMT2A (0.41) KMT2AF2F10CYP3A4
SCHEMBL5859196 0.75 KMT2A (0.48) KMT2AF2BRD4
SCHEMBL2464708 0.75 KMT2A (0.48) KMT2A

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-5385931-A Multistage formation of sulfonamides by reaction of esters and acyl halides, nitriding, reduction and sulfonylation to form cardiovascular compounds PIERRE FABRE MEDICAMENT (FR) 1995-01-31 US disclosed