SCHEMBL7488995

SCHEMBL7488995

CCCCN(CCCC)c1ccc(/C=C2\SC(=S)N(C(Cc3ccccc3)C(=O)O)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.71
▸ POLB P06746 2/20 0.71
▸ PLA2G1B P04054 1/20 0.71
▸ ATG4B Q9Y4P1 1/20 0.71
▸ BCL2L2 Q92843 6/20 0.68
▸ BAD Q92934 6/20 0.68
▸ BCL2 P10415 5/20 0.68
▸ MME P08473 2/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ ALDH1A1 P00352 4/20 0.68
▸ CRHBP P24387 1/20 0.68
▸ CRHR2 Q13324 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ MAPK1 P28482 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ NPC1 O15118 1/20 0.60
▸ ADAMTS5 Q9UNA0 1/20 0.60
▸ DUSP3 P51452 1/20 0.59

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
SCHEMBL7488998 1.00 MAPT (0.71) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL4568729 0.87 MAPT (0.80) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL2683719 0.87 MAPT (0.80) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL2683718 0.87 MAPT (0.80) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL7485783 0.85 PTPN1 (0.55) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL7485788 0.85 PTPN1 (0.55) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL7485795 0.85 PTPN1 (0.52) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL7485786 0.85 PTPN1 (0.52) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL19430434 0.84 MAPT (1.00) MAPTPOLBPLA2G1BATG4BBCL2L2
SCHEMBL13846498 0.82 MAPT (0.87) MAPTPOLBPLA2G1BATG4BBCL2L2

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
Send feedback