SCHEMBL28797889

SCHEMBL28797889

O=S(=O)(O)C(CCN1CCOCC1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HTR1A P08908 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KCNH2 Q12809 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42

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
SCHEMBL27887861 0.86 POLB (0.45) ALDH1A1SMN1; SMN2
SCHEMBL27514419 0.86 KMT2A (0.51) KMT2AALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL27887849 0.86 KDM4E (0.48) ALDH1A1KDM4EPSEN1PSEN2APH1B
SCHEMBL27887879 0.79 DPP4 (0.46) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9449932 0.72 ALDH1A1 (0.55) KMT2AALDH1A1MAPTHTR1AMAOA
SCHEMBL11489056 0.72 ALDH1A1 (0.46) KMT2AALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL14775341 0.72 SLC6A2 (0.74) KMT2AALDH1A1MAPTHTR1AMAOA
SCHEMBL29725293 0.71 POLB (0.51) KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3129710 0.71 MMP2 (0.48) KMT2AALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL29135760 0.71 GABBR2 (0.51) KMT2AMAPTSMN1; SMN2SLC6A4SLC6A3

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
CN-102627587-A Method for preparing 1-substituted tramiprosate from alpha, beta-unsaturated nitrile UNIV BEIJING CHEMICAL 2012-08-08 CN disclosed