SCHEMBL7711518

SCHEMBL7711518

CONC(=N)N(OC)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19745321 0.86 MEN1 (0.30) KMT2AMEN1
SCHEMBL28960083 0.82 KMT2A (0.35) KMT2AMEN1MTNR1AMTNR1BL3MBTL1
SCHEMBL8493070 0.79 KMT2A (0.41) KMT2AMEN1MTNR1AMTNR1BL3MBTL1
SCHEMBL10591414 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDNPSR1
SCHEMBL4947041 0.74 MEN1 (0.32) KMT2AMEN1MTNR1AMTNR1B
SCHEMBL4947035 0.73 MEN1 (0.39) KMT2AMEN1MTNR1AMTNR1BLMNA
SCHEMBL8392334 0.72 NPSR1 (0.43) KMT2AMEN1MTNR1AMTNR1BL3MBTL1
SCHEMBL8394621 0.71 FAAH (0.39) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL3977766 0.71 ALDH1A1 (0.54) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL6037494 0.71 NPSR1 (0.41) KMT2AMEN1MTNR1AMTNR1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365359-B1 IDENTIFYING PRP PHARMACORE BY DETERMINING FUNCTIONAL RESIDUES OF PROTEIN INVOLVED IN COMPLEX INTERACTIONS, DEVELOPING THREE DIMENSIONAL STRUCTURES, COMPARING THEM WITH OTHER COMPOUNDS AND IDENTIFYING COMPOUNDS CONSISTENT WITH BINDING TO PROTEIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-02 US disclosed