SCHEMBL28201049

SCHEMBL28201049

O=C(c1ccccc1)N1CCC(NC2CC2)CC1.c1ccc(N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
EPHX1 P07099 1/20 0.58
HPGD P15428 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
L3MBTL3 Q96JM7 2/20 0.55
EPHX2 P34913 1/20 0.54
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
HSD17B10 Q99714 1/20 0.52
USP2 O75604 2/20 0.52
MAPK1 P28482 1/20 0.52
ACHE P22303 1/20 0.51

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
SCHEMBL28201050 0.82 POLB (0.59) POLBHPGDL3MBTL1LMNAALDH1A1
SCHEMBL28201023 0.80 TDP1 (0.64) POLBEPHX1HPGDEPHX2ALDH1A1
SCHEMBL8158999 0.78 LMNA (0.73) POLBEPHX1HPGDEPHX2LMNA
SCHEMBL17875071 0.78 EPHX1 (0.78) POLBEPHX1HPGDL3MBTL1L3MBTL3
SCHEMBL8158991 0.77 LMNA (0.67) POLBEPHX1HPGDEPHX2LMNA
SCHEMBL8595777 0.76 POLB (0.87) POLBLMNAALDH1A1MAPTTSHR
SCHEMBL3641476 0.75 GRM5 (0.67) POLBEPHX1HPGDEPHX2LMNA
SCHEMBL16944500 0.75 EPHX1 (0.59) POLBEPHX1HPGDL3MBTL1L3MBTL3
SCHEMBL16948781 0.75 EPHX1 (0.59) POLBEPHX1HPGDL3MBTL1L3MBTL3
SCHEMBL14368336 0.75 EPHX1 (0.68) POLBEPHX1HPGDL3MBTL1L3MBTL3

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