SCHEMBL7397889

SCHEMBL7397889

O=C(CCn1cnc2c(=O)[nH]cnc21)NCCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPRT1 P00492 6/20 0.47
PNP P00491 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL7396839 0.94 HPRT1 (0.48) MAPK1HPRT1PNP
SCHEMBL7568068 0.86 TK1 (0.52) MAPK1CYP3A4HPRT1PNP
SCHEMBL7396262 0.85 HPRT1 (0.51) HPRT1PNP
SCHEMBL7403479 0.84 HPRT1 (0.50) HPRT1PNP
SCHEMBL7393176 0.82 HPRT1 (0.53) HPRT1PNP
SCHEMBL7391726 0.82 HPRT1 (0.59) HPRT1PNP
SCHEMBL9535314 0.82 HPRT1 (0.53) HPRT1PNP
SCHEMBL5988464 0.82 KMT2A (0.48) MAPK1KMT2AMEN1HPRT1PNP
SCHEMBL7399609 0.81 HPRT1 (0.56) HPRT1PNP
SCHEMBL8802916 0.80 HPRT1 (0.47) HPRT1PNP

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-0522082-B1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1997-07-02 EP disclosed
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE 1993-06-09 EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 EP disclosed
US-5091432-A Synergistic SPECTRUM PHARMACEUTICALS, INC. 1992-02-25 US disclosed
WO-1991014434-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE GLASKY ALVIN J (US) 1991-10-03 WO disclosed