SCHEMBL9059591

SCHEMBL9059591

Nc1c(N2CCOCC2)cccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
GAA P10253 4/20 0.52
LGMN Q99538 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
NPC1 O15118 3/20 0.50
HSD17B10 Q99714 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.48
NCF1 P14598 1/20 0.47
POLB P06746 3/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL31248708 0.90 LGMN (0.51) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL904453 0.90 LGMN (0.51) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL9059762 0.87 ALDH1A1 (0.59) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL9059418 0.87 PRKDC (0.49) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL23122504 0.84 KEAP1 (0.49) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL9424119 0.81 LMNA (0.62) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL7781079 0.81 KDM4E (0.49) MAPTGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL127620 0.81 KEAP1 (0.64) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL30443433 0.81 KEAP1 (0.64) MAPTGAALGMNSMN1; SMN2ALDH1A1
SCHEMBL4435301 0.80 LGMN (0.50) MAPTGAALGMNSMN1; SMN2ALDH1A1

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
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed