SCHEMBL2623116

SCHEMBL2623116

CNc1cc(Nc2ccccc2)nc(NC(=O)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.51
EGFR P00533 2/20 0.49
ERBB3 P21860 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
F2 P00734 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
RHOA P61586 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44

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
SCHEMBL2623122 0.92 ADORA1 (0.49) ADORA1ADORA3KMT2AMEN1RAB9A
SCHEMBL2623120 0.90 KCNK3 (0.56) L3MBTL1KCNK3KCNK9KMT2AMEN1
SCHEMBL2623124 0.89 EGFR (0.60) ADORA1EGFRERBB3ADORA3KCNK9
SCHEMBL821939 0.88 ADORA1 (0.56) ADORA1ADORA3L3MBTL1KMT2AMEN1
SCHEMBL2623123 0.87 NPC1 (0.62) EGFRERBB3KCNK3KCNK9KMT2A
SCHEMBL2623119 0.83 KMT2A (0.58) ADORA1EGFRERBB3ADORA3KCNK3
SCHEMBL2623109 0.82 ADORA1 (0.52) ADORA1ADORA3L3MBTL1KMT2AMEN1
SCHEMBL821849 0.81 LMNA (0.58) ADORA1ADORA3L3MBTL1KCNK3KCNK9
SCHEMBL11317375 0.80 LMNA (0.54) L3MBTL1KMT2AMEN1ABCB1ABCG2
SCHEMBL15305753 0.80 GRM5 (0.58) L3MBTL1KCNK3KCNK9KMT2AMEN1

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
US-8158220-B2 Cellulose acylate film, retardation film, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
US-8158220-B2 Cellulose acylate film, retardation film, polarizer and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed