SCHEMBL27859645

SCHEMBL27859645

CCCCCc1ccc([N+](=O)[O-])c(O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TYR P14679 2/20 0.42
ESR1 P03372 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ELANE P08246 2/20 0.39
CTSG P08311 2/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 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
SCHEMBL6233468 0.81 ALDH1A1 (0.46) TDP1ALDH1A1TYRESR1MAPT
SCHEMBL3197453 0.79 BID (0.55) MAPTALOX15BIDMCL1BCL2L1
SCHEMBL9904970 0.79 ALDH1A1 (0.44) TDP1ALDH1A1TYRESR1MAPT
SCHEMBL27464077 0.79 ALDH1A1 (0.44) TDP1ALDH1A1TYRESR1MAPT
SCHEMBL28796972 0.79 BID (0.43) TDP1ALDH1A1MAPTALOX5TSHR
SCHEMBL8402772 0.78 GPR35 (0.53) TYRESR1MAPTALOX5ALOX15
SCHEMBL28003051 0.78 BID (0.46) TDP1ALDH1A1MAPTALOX15TSHR
SCHEMBL16519848 0.77 ALDH1A1 (0.53) TDP1ALDH1A1TYRMAPTMEN1
SCHEMBL11578214 0.75 ALOX5 (0.55) TDP1ALDH1A1TYRESR1MAPT
SCHEMBL11579552 0.75 ALOX5 (0.55) TDP1ALDH1A1TYRESR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585871-A Preparation method of heavy-metal-free dye HUBEI WEIQING POLYMER TECH CO LTD 2016-05-18 CN claimed
CN-105482489-A Preparation method of anti-migration dye HUBEI WEIQING POLYMER TECH CO LTD 2016-04-13 CN claimed
CN-105385186-B A kind of resistance to migration orchil, preparation method and application 广州市纬庆化工科技有限公司 2017-03-29 CN disclosed
CN-105585871-A Preparation method of heavy-metal-free dye HUBEI WEIQING POLYMER TECH CO LTD 2016-05-18 CN disclosed
CN-105482489-A Preparation method of anti-migration dye HUBEI WEIQING POLYMER TECH CO LTD 2016-04-13 CN disclosed
CN-105385186-A Migration-resistant red dye, preparation method therefor and application thereof GUANGZHOU WEIQING CHEMICAL TECH CO LTD 2016-03-09 CN disclosed
CN-102267916-B Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol NANTONG ZHENGYAN PIGMENT CHEMICAL CO LTD 2014-04-02 CN disclosed
CN-102267916-A Preparation process of 2-amino-4-tert-amyl-6-nitro-phenol 2011-12-07 CN disclosed