SCHEMBL7167253

SCHEMBL7167253

C=CCOC(=O)N=C(NC(=O)OCC=C)SC

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7167250 1.00 MAPT (0.35) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL11521048 0.95 MAPT (0.34) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL11641212 0.95 MAPT (0.34) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL11641217 0.92 MAPT (0.34) MAPTCACNA1BAPBA1TSHRALDH1A1
SCHEMBL11759063 0.83 TSHR (0.34) MAPTCACNA1BAPBA1KMT2ATSHR
SCHEMBL11759071 0.83 TSHR (0.34) MAPTCACNA1BAPBA1KMT2ATSHR
SCHEMBL6344514 0.77 ALDH1A1 (0.35) KMT2AALDH1A1
SCHEMBL929826 0.77 ALDH1A1 (0.35) KMT2AALDH1A1
SCHEMBL18621627 0.76 MAPT (0.36) MAPTCACNA1BAPBA1MEN1KMT2A
SCHEMBL11521651 0.76 ALDH1A1 (0.34) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189929-B1 FACTOR VIIA INHIBITORS AVENTIS PHARMA GMBH (DE) 2003-08-06 EP disclosed
US-6500803-B1 Factor VIIa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-31 US disclosed
EP-1189929-A2 FACTOR VIIA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2002-03-27 EP disclosed
EP-1028962-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2001-11-21 EP disclosed
WO-2000075172-A2 FACTOR VIIa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-14 WO disclosed
EP-1028962-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-08-23 EP disclosed
WO-1999020628-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1999-04-29 WO disclosed
US-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed
US-4088780-A ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed
US-4032655-A PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-4024176-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3993682-A Substituted phenylguanidines and processes for their preparation and use BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed