SCHEMBL9545875

SCHEMBL9545875

C=CCC1CNCC(CC=C)N1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.31
CTNNB1 P35222 1/20 0.31

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
SCHEMBL11653000 0.78 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL11126675 0.78 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL6839636 0.75
SCHEMBL2695913 0.74 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL2695911 0.74 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL606249 0.74 L3MBTL1 (0.38) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL791126 0.73
SCHEMBL11817088 0.72 L3MBTL1 (0.36) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL1500725 0.72
SCHEMBL16767180 0.72 GBA1 (0.32) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108976172-A A kind of 4- pyrimidinediamine micromolecular organic compound and its derivative and its application 华东师范大学 2018-12-11 CN disclosed
WO-1993019226-A1 LOW MELTING POLYALKYLENEPOLYAMINE CORROSION INHIBITORS CHEVRON RESEARCH AND TECHNOLOGY COMPANY, A DIVISIO (US) 1993-09-30 WO disclosed
US-4900458-A Polyalkylenepolyamines as corrosion inhibitors CHEVRON RESEARCH COMPANY (US) 1990-02-13 US disclosed
WO-1988005039-A1 POLYALKYLENEPOLYAMINES AS CORROSION INHIBITORS CHEVRON RESEARCH COMPANY (US) 1988-07-14 WO disclosed