SCHEMBL12324293

SCHEMBL12324293

CCN(CC)c1ccc2c(-c3ccc(N)cc3C(=O)CCS)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ FPR2 P25090 4/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ CHRM1 P11229 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ P2RY6 Q15077 1/20 0.39
▸ AVPR2 P30518 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL13043702 0.91 USP2 (0.55) USP2MEN1POLBPPARGBLM
SCHEMBL13428310 0.89 USP2 (0.59) USP2MEN1POLBPPARGBLM
SCHEMBL21878601 0.88 USP2 (0.61) USP2MEN1POLBPPARGBLM
Hydrochloric Acid SCHEMBL29442119 0.88 USP2 (0.59) USP2MEN1POLBPPARGBLM
SCHEMBL13428252 0.84 USP2 (0.59) USP2MEN1POLBPPARGBLM
SCHEMBL14547044 0.82 MEN1 (0.56) USP2MEN1POLBPPARGBLM
SCHEMBL17552990 0.81 MEN1 (0.63) USP2MEN1POLBPPARGBLM
SCHEMBL17663659 0.81 MEN1 (0.60) USP2MEN1POLBPPARGBLM
SCHEMBL13043464 0.81 MEN1 (0.56) USP2MEN1POLBPPARGBLM
SCHEMBL3903552 0.80 MEN1 (0.61) USP2MEN1POLBPPARGBLM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 — — EP disclosed
EP-1934291-B1 XANTHENE DYES BASF SE (DE) 2011-09-14 — — EP disclosed
WO-2007039502-A2 XANTHENE DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-12 — — WO disclosed
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