SCHEMBL7294840

SCHEMBL7294840

N#Cc1cc(-c2ccncc2)cnc1OCCCOC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
SCN9A Q15858 1/20 0.41
XDH P47989 2/20 0.40
ACACB O00763 1/20 0.40
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7284472 0.93 L3MBTL1 (0.51) TDP1L3MBTL1LMNACYP11B1CYP11B2
SCHEMBL7294020 0.84 AAK1 (0.41) SCN9AXDHACACBALDH1A1KDM4E
SCHEMBL7282598 0.84 KDM4E (0.44) TDP1L3MBTL1XDHLMNACYP11B1
SCHEMBL7284949 0.83 AAK1 (0.40) SCN9AXDHACACBALDH1A1KDM4E
SCHEMBL7292620 0.81 KDM4E (0.50) TDP1L3MBTL1XDHLMNACYP11B1
SCHEMBL7284759 0.79 AAK1 (0.42) TDP1L3MBTL1XDHACACBCYP11B1
SCHEMBL7291149 0.79 AAK1 (0.43) TDP1L3MBTL1XDHACACBCYP11B1
SCHEMBL7285326 0.79 AAK1 (0.41) SCN9AXDHACACBALDH1A1KDM4E
SCHEMBL7292041 0.76 KDM4E (0.51) TDP1L3MBTL1LMNACYP11B1CYP11B2
SCHEMBL7306378 0.75 AAK1 (0.45) TDP1L3MBTL1CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200024-B1 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-07-01 EP disclosed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 EP disclosed