SCHEMBL28201050

SCHEMBL28201050

O=C(c1ccc(NC2CC2)cc1)N1CCCCC1.c1ccc(N2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SLC6A7 Q99884 1/20 0.56
HPGD P15428 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
NPC1 O15118 2/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL28201049 0.82 POLB (0.58) POLBMEN1KMT2ASLC6A7HPGD
SCHEMBL17832734 0.79 LTA4H (0.56) POLBMEN1KMT2ASLC6A7USP2
SCHEMBL10721777 0.78 MEN1 (0.87) POLBMEN1KMT2ASLC6A7ALDH1A1
SCHEMBL7288482 0.77 EPHX1 (0.69) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL13034163 0.76 L3MBTL3 (0.80) POLBMEN1KMT2ASLC6A7L3MBTL1
SCHEMBL19562172 0.75 MEN1 (0.67) POLBMEN1KMT2ASLC6A7ALDH1A1
SCHEMBL8595777 0.74 POLB (0.87) POLBMEN1KMT2ASLC6A7ALDH1A1
SCHEMBL6825013 0.74 ALDH1A1 (0.57) POLBSLC6A7HPGDL3MBTL1ALDH1A1
SCHEMBL911653 0.73 L3MBTL1 (0.60) POLBMEN1KMT2ASLC6A7HPGD
SCHEMBL911595 0.73 L3MBTL1 (0.60) POLBMEN1KMT2ASLC6A7HPGD

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
CN-107652270-A 2‑(4 morpholinyls)4,6 disubstituted pyrimidines/s-triazine compound and its salt and application 西安交通大学 2018-02-02 CN disclosed