SCHEMBL7486836

SCHEMBL7486836

CCCCCCN(C)c1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 2/20 0.62
▸ MAOA P21397 1/20 0.62
▸ MAPT P10636 6/20 0.62
▸ NCOA3 Q9Y6Q9 3/20 0.62
▸ MITF O75030 2/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.61
▸ KDM4E B2RXH2 4/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ HTT P42858 1/20 0.59
▸ AKR1B1 P15121 4/20 0.57
▸ FFAR1 O14842 1/20 0.57
▸ LMNA P02545 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ FABP4 P15090 1/20 0.55
▸ MYC P01106 1/20 0.54
▸ MAX P61244 1/20 0.54
▸ TAS2R14 Q9NYV8 1/20 0.53

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
SCHEMBL7486833 1.00 CISD1 (0.62) CISD1MAOAMAPTNCOA3MITF
SCHEMBL7489759 0.95 FFAR1 (0.64) CISD1MAOAMAPTNCOA3MITF
SCHEMBL7489754 0.95 FFAR1 (0.64) CISD1MAOAMAPTNCOA3MITF
SCHEMBL7493581 0.90 CISD1 (0.64) CISD1MAOAMAPTNCOA3MITF
SCHEMBL7493574 0.90 CISD1 (0.64) CISD1MAOAMAPTNCOA3MITF
SCHEMBL6791775 0.90 PTPN12 (0.60) MAPTALDH1A1KDM4EKMT2AAKR1B1
SCHEMBL7484741 0.90 PTPN12 (0.60) MAPTALDH1A1KDM4EKMT2AAKR1B1
SCHEMBL7484747 0.90 PTPN12 (0.60) MAPTALDH1A1KDM4EKMT2AAKR1B1
SCHEMBL6791768 0.90 PTPN12 (0.60) MAPTALDH1A1KDM4EKMT2AAKR1B1
SCHEMBL6792514 0.87 MAPK1 (0.60) MAOAMAPTNCOA3MITFRAB9A

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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