SCHEMBL8550741

SCHEMBL8550741

OCC(CN1CCOCC1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
ATM Q13315 3/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
NTSR1 P30989 1/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HIF1A Q16665 1/20 0.49
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3589625 0.84 ALDH1A1 (0.51) POLBKMT2AMEN1ALDH1A1ATM
SCHEMBL7402416 0.83 POLB (0.51) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL8554303 0.83 POLB (0.51) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL12513625 0.83 POLB (0.51) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL23610052 0.79 KDM4E (0.71) POLBKMT2AMEN1ATMHSD17B10
SCHEMBL1460360 0.79 KDM4E (0.71) POLBKMT2AMEN1ATMHSD17B10
SCHEMBL17835877 0.79 KDM4E (0.71) POLBKMT2AMEN1ATMHSD17B10
SCHEMBL18383795 0.76 NPC1 (0.50) RAB9ANPC1KDM4E
SCHEMBL17073861 0.76 NPC1 (0.50) RAB9ANPC1KDM4E
SCHEMBL2554004 0.76 POLB (0.54) POLBKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045597-C Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1999-10-13 CN disclosed
US-5852006-A N-aminoalkyl-substituted nitrogen-containing six membered heterocyclic compounds NIPPON CHEMIPHAR CO., LTD. (JP) 1998-12-22 US disclosed
EP-0579169-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1998-09-02 EP disclosed
US-5574030-A INHIBITING URINARY CONTRACTION, HETEROCYCLIC DIAMINES NIPPON CHEMIPHAR CO., LTD. (JP) 1996-11-12 US disclosed
CN-1092412-A Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-09-21 CN disclosed
EP-0579169-A1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1994-01-19 EP disclosed