SCHEMBL13428252

SCHEMBL13428252

CCN(CC)c1ccc2c(-c3cc(N)ccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ FPR2 P25090 4/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CHRM1 P11229 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL13428310 0.94 USP2 (0.59) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL29442119 0.93 USP2 (0.59) USP2MEN1BLMKMT2APOLB
SCHEMBL29593395 0.88 MEN1 (0.61) USP2MEN1BLMKMT2APOLB
SCHEMBL3903552 0.88 MEN1 (0.61) USP2MEN1BLMKMT2APOLB
SCHEMBL21878601 0.88 USP2 (0.61) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL30207638 0.87 MEN1 (0.60) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL18617 0.87 MEN1 (0.60) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL29354092 0.87 MEN1 (0.60) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL10325011 0.86 MEN1 (0.59) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL31337069 0.86 MEN1 (0.59) USP2MEN1BLMKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 — — US disclosed
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 — — US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 — — US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 — — US disclosed
WO-2008087031-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2008-07-24 — — WO disclosed
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