SCHEMBL5033477

SCHEMBL5033477

N#CCc1nc(OCc2ccc(CN3CCN(C=O)CC3)cc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 0.45
MAPK10 P53779 2/20 0.45
MAPK8 P45983 1/20 0.45
RAB9A P51151 6/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
S1PR2 O95136 4/20 0.37
GAA P10253 4/20 0.37
HPGD P15428 4/20 0.37
GLA P06280 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TDP1 Q9NUW8 4/20 0.37

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
SCHEMBL5033422 0.92 MAPK9 (0.47) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL5042890 0.90 MAPK9 (0.46) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL3747871 0.85 MAPK9 (0.42) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL4949235 0.83 RAB9A (0.44) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL4952153 0.81 MAPK8 (0.49) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL4948638 0.81 MAPK9 (0.43) MAPK9MAPK10RAB9AALDH1A1KDM4E
SCHEMBL4950093 0.74 LTA4H (0.50) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL5596710 0.74 ALDH1A1 (0.47) MAPK9MAPK10RAB9AALDH1A1KDM4E
SCHEMBL3746727 0.74 MAPK10 (0.79) MAPK9MAPK10MAPK8RAB9AALDH1A1
SCHEMBL4950482 0.73 FNTA (0.42) MAPK9MAPK10RAB9AALDH1A1KDM4E

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-1501828-B1 PIPERAZINE BENZOTHIAZOLES AS AGENTS FOR THE TREATMENT OF CEREBRAL ISCHEMIC DISORDERS OR CNS DISORDERS SERONO LAB (CH) 2008-01-09 EP claimed