SCHEMBL2733299

SCHEMBL2733299

CCOC(=O)C(Br)c1ccc(S(=N)(=O)Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.37
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 1/20 0.34
NHERF1 O14745 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
SCHEMBL184810 0.88 CA12 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL8849171 0.82 MMP8 (0.43) CA12CA1CA2CA9KMT2A
SCHEMBL12920265 0.79 ESR1 (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL5321055 0.78 CA12 (0.47) CA12CA1CA2CA9POLB
SCHEMBL6905840 0.77 MEN1 (0.46) KMT2AGAAALDH1A1
SCHEMBL185043 0.77 RAB9A (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL324361 0.76 KMT2A (0.47) KMT2AGAANPSR1ALDH1A1HPGD
SCHEMBL13191486 0.74 MMP8 (0.38) CA12CA1CA2CA9KMT2A
SCHEMBL1676908 0.74 MAPT (0.46) KMT2AGAANPSR1ALDH1A1HPGD
SCHEMBL185201 0.74 RAB9A (0.61) GAANPSR1ALDH1A1RAB9A

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-2402327-A1 Acetamide compounds as glucokinase activators, their process and medicinal applications Advinus Therapeutics Private Limited (IN) 2012-01-04 EP disclosed