SCHEMBL253769

SCHEMBL253769

CCCCc1ncccc1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
DPP4 P27487 1/20 0.39
TLR8 Q9NR97 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL6293250 0.87 L3MBTL1 (0.43) L3MBTL1TDP1TLR8CYP3A4CYP2D6
SCHEMBL23020157 0.85 L3MBTL1 (0.42) L3MBTL1TDP1CYP3A4CYP2D6CYP2C9
SCHEMBL13073704 0.85 GRM5 (0.43) L3MBTL1TDP1CYP3A4CYP2D6CYP2C9
SCHEMBL29031761 0.84 TDP1 (0.49) L3MBTL1TDP1TLR8CYP3A4CYP2D6
SCHEMBL28182684 0.82 TDP1 (0.47) L3MBTL1TDP1CYP3A4PPARAKAT2B
SCHEMBL252398 0.82 L3MBTL1 (0.44) L3MBTL1TDP1CYP3A4CYP2D6CYP2C9
SCHEMBL461554 0.81 TDP1 (0.50) L3MBTL1TDP1TLR8PPARAKAT2B
SCHEMBL3287856 0.81 DPP4 (0.43) L3MBTL1DPP4GRM5ALDH1A1LOXL2
SCHEMBL8735931 0.80 TLR8 (0.47) L3MBTL1TDP1TLR8CYP2A6
SCHEMBL31190150 0.80 TDP1 (0.49) L3MBTL1TDP1PPARAKAT2B

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed