SCHEMBL21078281

SCHEMBL21078281

C=Cc1ccc(C(=O)N2CCCCCOCCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.48
ALDH1A1 P00352 4/20 0.48
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
BMPR1B O00238 1/20 0.41
PLK4 O00444 1/20 0.41
STK25 O00506 1/20 0.41
CIT O14578 1/20 0.41
RIOK3 O14730 1/20 0.41
CHEK1 O14757 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL4900673 0.82 HPGD (0.71) HPGDALDH1A1LMNAHTTL3MBTL3
SCHEMBL4906405 0.79 PHGDH (0.63) HPGDALDH1A1HTTKDM4EPOLB
SCHEMBL3583338 0.77 HPGD (0.73) HPGDALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL15653359 0.72 SIGMAR1 (0.57) HPGDALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL8358137 0.72 SIGMAR1 (0.81) HPGDALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL15172602 0.72 SIGMAR1 (0.64) HPGDALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL7132525 0.69 HPGD (1.00) HPGDALDH1A1LMNAL3MBTL3L3MBTL1
SCHEMBL27479149 0.69 HPGD (1.00) HPGDALDH1A1LMNAL3MBTL3L3MBTL1
Tetrahydrofuran SCHEMBL9241644 0.69 TAS1R3 (0.38) HPGDALDH1A1KDM4EL3MBTL1PHGDH
SCHEMBL12812076 0.69 SIGMAR1 (0.39) HPGDALDH1A1SIGMAR1POLBHSD17B10

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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed