SCHEMBL9735902

SCHEMBL9735902

COc1ncccc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
POLB P06746 1/20 0.42
RIPK1 Q13546 1/20 0.40
LMNA P02545 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
MAPK8 P45983 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX4 Q99571 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL306737 0.79 POLB (0.45) MAPTGAATDP1BRD4BRPF1
SCHEMBL4406065 0.79 NAPRT (0.58) MAPTTDP1RIPK1LMNAL3MBTL1
SCHEMBL14626001 0.79 RIPK1 (0.43) MAPTTDP1RIPK1LMNAL3MBTL1
SCHEMBL26225817 0.79 GAA (0.47) MAPTGAATDP1BRD4BRPF1
SCHEMBL9736137 0.78 ATM (0.53) POLBHCRTR1HCRTR2
SCHEMBL949562 0.78 TDP1 (0.50) MAPTGAATDP1BRD4BRPF1
SCHEMBL17675088 0.78 HSD11B1 (0.50) MAPTGAATDP1POLBLMNA
SCHEMBL9737760 0.78 LMNA (0.56) POLBRIPK1LMNAL3MBTL1SMN1; SMN2
SCHEMBL31081770 0.76 TDP1 (0.49) MAPTGAATDP1BRD4BRPF1
SCHEMBL18201 0.76 TDP1 (0.57) MAPTGAATDP1POLBLMNA

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-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
US-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed