SCHEMBL4061177

SCHEMBL4061177

CC(CN1CCOCC1)c1cccc(N)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL20932207 0.84 L3MBTL1 (0.53) L3MBTL1ALDH1A1KDM4EGFERKMT2A
SCHEMBL4060240 0.82 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4EGFERKMT2A
SCHEMBL16572388 0.81 ALDH1A1 (0.68) L3MBTL1ALDH1A1KDM4EGFERKMT2A
SCHEMBL5510459 0.81 ALDH1A1 (0.68) L3MBTL1ALDH1A1KDM4EGFERKMT2A
Hydrochloric Acid SCHEMBL11176717 0.81 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4EGFERKMT2A
SCHEMBL18284913 0.77 MCHR1 (0.45) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1203109 0.77 CYP2D6 (0.46) ALDH1A1SMN1; SMN2GAA
SCHEMBL11192385 0.76 ABCB1 (0.58) L3MBTL1ALDH1A1KDM4ESMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL11182664 0.75 LMNA (0.60) L3MBTL1ALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL12705234 0.74 MCHR1 (0.41) ALDH1A1KDM4EKMT2AMEN1MCHR1

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
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed