SCHEMBL9407487

SCHEMBL9407487

O=C(NCCNc1ccccc1)OCCCl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
EPHX1 P07099 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSS P25774 1/20 0.39

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
SCHEMBL9528098 0.82 NPC1 (0.66) CTSKLMNASMN1; SMN2NPC1RAB9A
SCHEMBL9407494 0.81 GAA (0.58) CTSKLMNAALDH1A1SMN1; SMN2EPHX1
SCHEMBL11741059 0.79 ACHE (0.50) L3MBTL1
SCHEMBL11495121 0.78 NPC1 (0.65) LMNAALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL10182137 0.78 MTNR1A (0.50) CTSKLMNAALDH1A1EPHX1NPC1
SCHEMBL9527973 0.77 NPC1 (0.56) CTSKLMNANPSR1SMN1; SMN2NPC1
SCHEMBL17864863 0.77 NPC1 (0.68) LMNAALDH1A1NPSR1SMN1; SMN2NPC1
SCHEMBL11437199 0.76 EPHX1 (0.50) LMNAALDH1A1SMN1; SMN2EPHX1NPC1
SCHEMBL11673042 0.76 NPSR1 (0.50) CTSKLMNAALDH1A1NPSR1SMN1; SMN2
SCHEMBL9407521 0.76 CTSK (0.42) CTSKLMNAALDH1A1NPSR1SMN1; SMN2

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-0610943-A1 Pyridinium derivatives useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1994-08-17 EP disclosed