SCHEMBL13647457

SCHEMBL13647457

Cc1cc(Nc2nc(Cl)nc(Nc3ccc(SOC(=O)CSOOO)cc3)n2)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CA12 O43570 8/20 0.40
▸ CA1 P00915 8/20 0.40
▸ CA2 P00918 8/20 0.40
▸ CA9 Q16790 8/20 0.40
▸ CA14 Q9ULX7 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ APP P05067 2/20 0.35
▸ NPR3 P17342 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CHAT P28329 1/20 0.34
▸ CHRNA7 P36544 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
SCHEMBL12052715 0.80 CA9 (0.44) MEN1KMT2ACA12CA1CA2
SCHEMBL12052804 0.79 CA12 (0.47) MEN1KMT2ACA12CA1CA2
SCHEMBL14004230 0.76 CHAT (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL14372008 0.75 FUT8 (0.49) CA12CA1CA2CA9CA14
SCHEMBL12052742 0.75 CA9 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL14468813 0.75 CA12 (0.57) MEN1KMT2ACA12CA1CA2
SCHEMBL14372010 0.75 FUT8 (0.48) MEN1KMT2ACA12CA1CA2
SCHEMBL13387300 0.74 MEN1 (0.36) MEN1KMT2ACA12CA1CA2
SCHEMBL5954151 0.74 NFKB1 (0.52) MEN1KMT2ACA12CA1CA2
SCHEMBL14615450 0.73 CA12 (0.49) MEN1KMT2ACA12CA1CA2

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-7598357-B1 Bis-reactive dye with n,n-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-10-06 — — US disclosed
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