SCHEMBL28075182

SCHEMBL28075182

CCCCCC(=O)OOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
LMNA P02545 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TTR P02766 2/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR35 Q9HC97 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL27988647 0.87 ALDH1A1 (0.59) ALDH1A1TDP1KDM4EMAPTCYSLTR2
SCHEMBL4073813 0.80 BCL9 (0.58) ALDH1A1TDP1MAPTLMNASMN1; SMN2
SCHEMBL7069628 0.79 ALDH1A1 (0.47) ALDH1A1TDP1LMNAHPGDSMN1; SMN2
SCHEMBL9172769 0.78 ALOX15 (0.56) ALDH1A1TDP1MAPTCYSLTR2CYSLTR1
SCHEMBL9165418 0.78 ALOX15 (0.56) ALDH1A1TDP1MAPTCYSLTR2CYSLTR1
SCHEMBL9170870 0.78 ALOX15 (0.56) ALDH1A1TDP1MAPTCYSLTR2CYSLTR1
SCHEMBL27768435 0.78 BCL9 (0.62) ALDH1A1TDP1KDM4EMAPTLMNA
SCHEMBL8973693 0.77 CYP19A1 (0.57) ALDH1A1TDP1MAPTCYSLTR2CYSLTR1
SCHEMBL27596079 0.77 BCL9 (0.42) ALDH1A1TDP1KDM4EMAPTTHRA
SCHEMBL10071361 0.77 ALDH1A1 (0.47) ALDH1A1TDP1KDM4EMAPTTTR

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-105837563-A Production method of flumioxazin 四川义结科技有限责任公司 2016-08-10 CN claimed
CN-105837563-B The production method of flumioxazin 贵州硅谷特检科技有限公司 2018-04-24 CN disclosed
CN-105837563-A Production method of flumioxazin 四川义结科技有限责任公司 2016-08-10 CN disclosed