SCHEMBL8708705

SCHEMBL8708705

CCCCOc1ccc(C=C2SC(=S)N(N(C)C)C2=O)cc1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
DNM1 Q05193 1/20 0.50
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
RECQL P46063 1/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.48
ALPI P09923 1/20 0.48
THRB P10828 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DVL1 O14640 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PDE4B Q07343 3/20 0.47
PDE3A Q14432 1/20 0.47
ADAMTS5 Q9UNA0 3/20 0.46

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
SCHEMBL8708703 1.00 MAPT (0.53) MAPTDNM1KMT2AALDH1A1MEN1
SCHEMBL8708414 0.96 MAPT (0.52) MAPTDNM1KMT2AALDH1A1MEN1
SCHEMBL8310527 0.91 MAPT (0.59) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL8307204 0.83 DNM1 (0.62) MAPTDNM1KMT2AALDH1A1MEN1
SCHEMBL8532182 0.80 MEN1 (0.66) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL8532185 0.80 MEN1 (0.66) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL8307610 0.77 MAPT (0.80) MAPTKMT2AALDH1A1MEN1MAPK1
SCHEMBL8712470 0.77 ADAMTS5 (0.71) ADAMTS5AKR1B1
SCHEMBL8308209 0.76 MAPT (0.61) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL541143 0.75 MAPT (0.89) MAPTKMT2AALDH1A1MEN1KDM4E

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
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0599485-B1 Method of inhibiting corrosion in aqueous systems BETZ EUROP INC (US) 1996-06-26 EP disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
EP-0599485-A1 Method of inhibiting corrosion in aqueous systems BETZ EUROPE, INC. (US) 1994-06-01 EP disclosed