SCHEMBL4312183

SCHEMBL4312183

CC(=O)Oc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.93
▸ KMT2A Q03164 5/20 0.93
▸ CACNA1B Q00975 1/20 0.93
▸ APBA1 Q02410 1/20 0.93
▸ CA1 P00915 10/20 0.76
▸ CA2 P00918 10/20 0.76
▸ CA9 Q16790 9/20 0.76
▸ CA12 O43570 6/20 0.76
▸ NPC1 O15118 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.65
▸ CA7 P43166 3/20 0.63
▸ CA14 Q9ULX7 3/20 0.63
▸ TSHR P16473 1/20 0.63
▸ POLB P06746 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.60

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
SCHEMBL4301505 0.88 CA1 (0.80) MEN1KMT2ACACNA1BAPBA1CA1
SCHEMBL9787783 0.83 RAB9A (0.78) MEN1KMT2ACACNA1BAPBA1NPC1
SCHEMBL15888499 0.83 CA1 (0.86) MEN1KMT2ACACNA1BAPBA1CA1
SCHEMBL4305965 0.82 CA1 (0.89) MEN1KMT2ACACNA1BAPBA1CA1
SCHEMBL13625624 0.81 CA1 (0.72) MEN1KMT2ACACNA1BAPBA1CA1
SCHEMBL13401865 0.81 CA1 (0.86) MEN1KMT2ACACNA1BAPBA1CA1
SCHEMBL30628487 0.81 CA1 (0.86) MEN1KMT2ACA1CA2CA9
SCHEMBL6046379 0.80 MEN1 (0.90) MEN1KMT2ACA1CA2CA9
SCHEMBL8868584 0.80 CA2 (0.86) MEN1KMT2ACA1CA2CA9
SCHEMBL11807861 0.79 MEN1 (0.87) MEN1KMT2ACA1CA2CA9

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
WO-2009140743-A2 BLOOD IMAGING KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-11-26 — — WO disclosed
Send feedback