SCHEMBL7489754

SCHEMBL7489754

CCCCCCN(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.64
▸ MAPT P10636 7/20 0.61
▸ KDM4E B2RXH2 5/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ LMNA P02545 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ CTNNB1 P35222 2/20 0.58
▸ TCF4 P15884 1/20 0.58
▸ NCOA3 Q9Y6Q9 2/20 0.56
▸ MITF O75030 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ CISD1 Q9NZ45 2/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MCHR1 Q99705 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ APEX1 P27695 1/20 0.52

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
SCHEMBL7489759 1.00 FFAR1 (0.64) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL7486836 0.95 CISD1 (0.62) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL7486833 0.95 CISD1 (0.62) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL7487001 0.90 FFAR1 (0.66) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL7487007 0.90 FFAR1 (0.66) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL6791775 0.89 PTPN12 (0.60) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL7484741 0.89 PTPN12 (0.60) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL7484747 0.89 PTPN12 (0.60) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL6791768 0.89 PTPN12 (0.60) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL7491489 0.87 FFAR1 (0.67) FFAR1MAPTKDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192143-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP claimed
WO-2000076987-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO claimed
EP-1192143-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000076987-A1 RHODANINE DERIVATIVES FOR USE IN A METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO disclosed
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