SCHEMBL27621809

SCHEMBL27621809

CC(C)(C)c1cc(N)n(OC(=O)c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.43
SORT1 Q99523 4/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
MAPK14 Q16539 5/20 0.39
TNF P01375 1/20 0.38
KLF5 Q13887 1/20 0.38
NOD1 Q9Y239 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL27907749 0.75 GRN (0.46) GRNSORT1MAPTKMT2AHPGD
SCHEMBL27381532 0.70 F2 (0.42) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL28008522 0.69 TDP1 (0.48) ALDH1A1MAPTHSD17B10KMT2ALMNA
SCHEMBL13532243 0.69 TP53 (0.48) GRNSORT1ALDH1A1MAPTHPGD
SCHEMBL1409505 0.69 PTGS1 (0.57) GRNSORT1ALDH1A1HPGDTDP1
SCHEMBL2082052 0.69 GRN (0.55) GRNSORT1ALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL3173855 0.68 TP53 (0.47) GRNSORT1ALDH1A1MAPTHPGD
SCHEMBL20603916 0.67 GRN (0.47) GRNSORT1MAPK13MAPK12MAPK11
SCHEMBL2084183 0.67 GRN (0.49) GRNSORT1ALDH1A1MAPK13MAPK12
SCHEMBL1264553 0.66 CYP1A2 (0.61) GRNSORT1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341384-B P38 map kinase inhibitors RESPIVERT LTD 2014-11-12 CN disclosed
CN-102341384-A P38 map kinase inhibitors RESPIVERT LTD 2012-02-01 CN disclosed
CN-1756849-A Modulation of protein functionality DECIPHERA PHARMACEUTICALS LLC (US) 2006-04-05 CN disclosed