SCHEMBL12324197

SCHEMBL12324197

CC/N=c1\ccc2c(-c3ccccc3C(=O)OCCSSCCOC(=O)c3ccccc3-c3c4ccc(=[N+](CC)CC)cc-4oc4cc(N(CC)CC)ccc34)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ TGM2 P21980 1/20 0.46
▸ FPR2 P25090 4/20 0.45
▸ CHRM1 P11229 1/20 0.40
▸ AVPR2 P30518 4/20 0.40
▸ TLR7 Q9NYK1 1/20 0.39
▸ NPY4R P50391 2/20 0.38
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL13043463 0.93 USP2 (0.54) MEN1USP2POLBPPARGBLM
SCHEMBL14338981 0.89 TGM2 (0.46) MEN1USP2POLBPPARGBLM
SCHEMBL14546766 0.88 ABCB1 (0.38) MEN1USP2POLBPPARGBLM
SCHEMBL10124264 0.86 USP2 (0.56) MEN1USP2POLBPPARGBLM
SCHEMBL22292200 0.85 USP2 (0.55) MEN1USP2POLBPPARGBLM
SCHEMBL2732905 0.85 ABCB1 (0.43) MEN1USP2POLBPPARGBLM
SCHEMBL22851948 0.85 MAOB (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL10298327 0.85 USP2 (0.58) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL29539118 0.84 USP2 (0.54) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL23064866 0.84 USP2 (0.57) MEN1USP2POLBPPARGBLM

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-1934291-B1 XANTHENE DYES BASF SE (DE) 2011-09-14 — — EP disclosed
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