SCHEMBL8308209

SCHEMBL8308209

CCCCCCCOc1ccc(C=C2SC(=S)N(N)C2=O)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
MAPK1 P28482 2/20 0.56
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
AKR1B1 P15121 3/20 0.53
MEN1 O00255 5/20 0.53
POLB P06746 3/20 0.53
CTNNB1 P35222 2/20 0.52
TCF4 P15884 1/20 0.52
PDE4B Q07343 3/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PTPN1 P18031 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
PDE3A Q14432 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8307610 0.88 MAPT (0.80) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL8310527 0.86 MAPT (0.59) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL8713783 0.84 PDE4B (0.63) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL12008421 0.82 CTNNB1 (0.73) MAPTMAPK1KMT2AALDH1A1AKR1B1
SCHEMBL12008497 0.82 CTNNB1 (0.73) MAPTMAPK1KMT2AALDH1A1AKR1B1
SCHEMBL12008513 0.81 CTNNB1 (0.81) MAPTMAPK1KMT2AAKR1B1MEN1
SCHEMBL12008416 0.81 CTNNB1 (0.75) MAPTMAPK1KMT2AALDH1A1AKR1B1
SCHEMBL5123134 0.81 CTNNB1 (0.77) MAPTMAPK1KMT2AAKR1B1MEN1
SCHEMBL5123932 0.81 CTNNB1 (0.77) MAPTMAPK1KMT2AAKR1B1MEN1
SCHEMBL14277840 0.81 CTNNB1 (0.77) MAPTMAPK1KMT2AAKR1B1MEN1

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
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
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
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
US-5492955-A COMPRISING A CURABLE MIXTURE OF AN ACRYLIC BINDER CONTAINING EPOXY GROUPS, A DICARBOXYLIC ACID OR ANHYDRIDE CURING AGENT AND A POLYURETHANE CONTAINING URETIDIONE BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 US disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed