SCHEMBL9160089

SCHEMBL9160089

c1ccc(N(OON(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 2/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL1465464 0.80 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL28406208 0.77 ALDH1A1 (0.39) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL3951063 0.75 CA4 (0.41) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL8853011 0.75 ALDH1A1 (0.40) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL11313371 0.73 ALDH1A1 (0.38) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
Hydrochloric Acid SCHEMBL9721484 0.73 CA4 (0.39) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL18570099 0.73 LTA4H (0.43) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL20475016 0.72 SIGMAR1 (0.47) ALDH1A1ALOX15L3MBTL1TDP1CYP1A2
Nitrogen SCHEMBL7754822 0.71 CA4 (0.38) ALDH1A1NPSR1ALOX15L3MBTL1TDP1
SCHEMBL15006603 0.69 ALDH1A1 (0.37) ALDH1A1NPSR1ALOX15L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880990-A Preparation method and application of modified cellulose acetate butyrate 江苏瑞佳新材料有限公司 2022-01-04 CN claimed
CN-113880990-A Preparation method and application of modified cellulose acetate butyrate 江苏瑞佳新材料有限公司 2022-01-04 CN disclosed
CN-113880990-A Preparation method and application of modified cellulose acetate butyrate 江苏瑞佳新材料有限公司 2022-01-04 CN disclosed
US-5399613-A Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-03-21 US disclosed