SCHEMBL6683908

SCHEMBL6683908

CC(C=O)c1cnc2n(c1=O)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL27414736 0.84 MAPK1 (0.44) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11095319 0.75 MAPT (0.44) MAPK1SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL25735678 0.74 MAPK1 (0.50) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11189485 0.72 MAPK1 (0.51) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25915799 0.71 MAPK1 (0.43) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15042238 0.70 MAPK1 (0.40) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11092210 0.69 SMN1; SMN2 (0.45) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4479461 0.69 HPGD (0.44) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14701605 0.69 HPGD (0.47) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23108977 0.68 HPGD (0.50) MAPK1SMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480978-A1 PROCESS FOR PREPARING 3-(2-(4-(6-FLUOROBENZO(D) ISOXAZOL-3-YL)-PIPERIDIN-1YL)-ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO-(1,2-A) PYRIMIDIN-4-ONE FERRER INTERNACIONAL, S.A. (ES) 2004-12-01 EP disclosed
WO-2003074522-A1 PROCESS FOR PREPARING 3-(2-(4-(6-FLUOROBENZO(D) ISOXAZOL-3-YL)-PIPERIDIN-1YL)-ETHYL)-2-METHYL-6,7,8,9-TETRAHYDRO-4H-PYRIDO-(1,2-A) PYRIMIDIN-4-ONE FERRER INTERNACIONAL, S.A. (ES) 2003-09-12 WO disclosed