SCHEMBL6890920

SCHEMBL6890920

CCCN(CCC)C(=O)c1ccc(C(N)=O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
F2 P00734 1/20 0.44
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37

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
SCHEMBL14376197 0.81 TP53 (0.50) TP53MLYCDALDH1A1HPGDKDM4E
SCHEMBL6978676 0.76 F2 (0.44) TP53F2ALDH1A1HPGDKDM4E
SCHEMBL22652241 0.76 F2 (0.52) TP53F2ALDH1A1HPGDKDM4E
SCHEMBL28322738 0.75 ALDH1A1 (0.62) MLYCDALDH1A1HPGDKDM4ENPC1
SCHEMBL6181512 0.74 F2 (0.71) TP53F2ALDH1A1HPGDKDM4E
SCHEMBL12527195 0.74 CA2 (0.46) TP53ALDH1A1HPGDKDM4ENPC1
SCHEMBL28278838 0.73 MLYCD (0.62) TP53MLYCDALDH1A1HPGDEGFR
SCHEMBL23747987 0.72 TP53 (0.58) TP53MLYCDHPGDEGFRERBB2
SCHEMBL1807966 0.70 CXCR4 (0.40) F2
SCHEMBL7123985 0.70 TP53 (0.82) TP53MLYCDALDH1A1HPGDKDM4E

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
JP-2004502669-A 2004-01-29 JP claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-1242479-B1 HIGH-MOLECULAR POLYPROPYLENE WITH A BROAD DISTRIBUTION OF THE MOLECULAR WEIGHT AND A SHORT ISOTACTIC SEQUENCE LENGTH BASELL POLYOLEFINE GMBH (DE) 2004-08-11 EP disclosed
EP-0856523-B1 Process for the preparation of a metallocene catalyst system BASELL POLYOLEFINE GMBH (DE) 2004-07-14 EP disclosed
EP-1042371-B1 SUPPORTED CATALYST SYSTEM FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-10-01 EP disclosed
EP-0859800-B1 SUPPORTED CATALYST SYSTEM, PROCESS FOR ITS PRODUCTION AND ITS USE IN POLYMERISING OLEFINES BASELL POLYOLEFINE GMBH (DE) 2003-07-23 EP disclosed
EP-0780402-B1 Supported catalyst system, process for production of the same and the use thereof for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-23 EP disclosed
EP-1003753-B1 COMPOUNDS CONTAINING BORON AND ALUMINIUM BASELL POLYOLEFINE GMBH (DE) 2003-03-05 EP disclosed
EP-0856523-A1 Process for the preparation of a metallocene catalyst system HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-05 EP disclosed
EP-0811640-A1 Supported catalyst system, process for its preparation and its use in the polymerization of olefins HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
EP-0780402-A1 Supported catalyst system, process for production of the same and the use thereof for the polymerization of olefins HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-25 EP disclosed