SCHEMBL28347103

SCHEMBL28347103

O=C(/C=C/c1ccccc1)ON1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MEN1 O00255 5/20 0.56
MAOB P27338 1/20 0.55
MAPT P10636 4/20 0.54
HSP90AA1 P07900 1/20 0.53
NPC1 O15118 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.45
ALOX5 P09917 1/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL7213005 0.89 LMNA (0.52) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5893770 0.87 CA12 (0.51) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL20544339 0.84 HSP90AA1 (0.52) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL20544340 0.84 HSP90AA1 (0.52) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL28602892 0.83 KMT2A (0.46) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL9724555 0.82 POLB (0.61) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL6852892 0.78 L3MBTL1 (0.38) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3329607 0.78 L3MBTL1 (0.38) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3592465 0.76 RAB9A (1.00) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL3592470 0.76 RAB9A (1.00) RAB9AKMT2AALDH1A1SMN1; SMN2MEN1

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-108640887-B Heterocyclic morpholine derivatives, and preparation method and application thereof 南开大学 2019-12-24 CN disclosed