SCHEMBL6908063

SCHEMBL6908063

CCc1cccc(N=O)c1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 2/20 0.37
HTR1A P08908 1/20 0.37
SIGMAR1 Q99720 3/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SCN5A Q14524 2/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDK2 Q15119 2/20 0.32

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
SCHEMBL26027265 0.81 NOS3 (0.34) GABRA1GABRB2ALDH1A1LMNASIGMAR1
SCHEMBL31311130 0.81 GABRA1 (0.46) GABRA1GABRB2ALDH1A1LMNATAAR1
SCHEMBL944030 0.79 SIGMAR1 (0.46) GABRA1GABRB2ALDH1A1LMNASIGMAR1
SCHEMBL8978146 0.79 GABRA1 (0.40) GABRA1GABRB2ALDH1A1LMNATAAR1
SCHEMBL18244924 0.79 GABRA1 (0.47) GABRA1GABRB2ALDH1A1LMNATAAR1
SCHEMBL6889503 0.79 AKR1B1 (0.39) GABRA1GABRB2ALDH1A1LMNATAAR1
SCHEMBL18899969 0.79 GABRA1 (0.35) GABRA1GABRB2ALDH1A1LMNATAAR1
SCHEMBL15417768 0.78 GABRA1 (0.43) GABRA1GABRB2ALDH1A1LMNASIGMAR1
SCHEMBL245773 0.78 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL2347924 0.78 GABRA1 (0.60) GABRA1GABRB2ALDH1A1TAAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590844-A Preparation method for synthesizing tenofovir alafenamide by two-step method 江西农业大学 2019-12-20 CN claimed
WO-2017214458-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
CN-1236037-C Detergent for equipment for producing and processing synthetic fibre TAKEMOTO OIL AND FAT SUZHOU CO (CN) 2006-01-11 CN disclosed
CN-1557927-A Detergent for equipment for producing and processing synthetic fibre 竹本油脂(苏州)有限公司 2004-12-29 CN disclosed
US-6723255-B2 COMPRISING AT LEAST ONE HYDROPHILIC SHORTSTOPPING AGENT AND AT LEAST ONE HYDROPHOBIC FREE RADICAL SHORTSTOPPING AGENT; FOR EMULSION POLYMERIZATION OF LATEX ATOFINA CHEMICALS, INC. 2004-04-20 US disclosed
US-20010045544-A1 Compositions for shortstopping free radical emulsion polymerizations and stabilizing latices made therefrom ARKEMA INC. 2001-11-29 US disclosed
EP-1132408-A1 Compositions for shortstopping free radical emulsion polymerization and stabilizing latices made therefrom Atofina Chemicals, Inc. (US) 2001-09-12 EP disclosed