SCHEMBL4064076

SCHEMBL4064076

Cc1ccccc1C(=O)Nc1ccc(NC2CCCCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
KIT P10721 1/20 0.53
MAPK1 P28482 2/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR1 P21453 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49

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
SCHEMBL4064073 0.87 S1PR1 (0.50) MEN1KMT2ANPC1RAB9AKIT
SCHEMBL4063294 0.85 MEN1 (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4063306 0.79 L3MBTL1 (0.51) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4068903 0.78 NPC1 (0.51) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4061179 0.78 NPC1 (0.56) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4060806 0.77 JAK2 (0.55) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL2950646 0.77 KIT (0.77) KITS1PR1KCNQ3KCNQ2
SCHEMBL25143492 0.76 HPGD (0.63) NPC1RAB9AL3MBTL1MAPK1TP53
SCHEMBL31665584 0.76 HPGD (0.63) NPC1RAB9AL3MBTL1MAPK1TP53
SCHEMBL5486398 0.75 CYP1A2 (0.46) MEN1KMT2ANPC1RAB9AMAPK1

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed