SCHEMBL27488491

SCHEMBL27488491

COC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2ccccc2)c(C#N)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
LMNA P02545 1/20 0.36
PDCD1 Q15116 5/20 0.36
CD274 Q9NZQ7 5/20 0.36
PTPN1 P18031 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4939408 0.90 LTB4R2 (0.41) ALDH1A1MAPTMAPK1LTB4R2LMNA
SCHEMBL27847370 0.84 PTPN1 (0.34) ALDH1A1MAPTLTB4R2LMNAPDCD1
SCHEMBL7771116 0.84 LTB4R2 (0.42) ALDH1A1LTB4R2LMNAPTPN1
SCHEMBL7015019 0.81 LTB4R2 (0.44) ALDH1A1MAPTMAPK1LTB4R2LMNA
SCHEMBL8566901 0.76 LTB4R2 (0.42) ALDH1A1MAPTLTB4R2LMNASMN1; SMN2
SCHEMBL9586936 0.76 FNTA (0.39) ALDH1A1MAPTMAPK1LTB4R2LMNA
SCHEMBL6849336 0.75 AGTR1 (0.39) ALDH1A1MAPTMAPK1LTB4R2LMNA
SCHEMBL27862729 0.75 NR1H4 (0.39) ALDH1A1MAPTLTB4R2LMNAPDCD1
SCHEMBL9586285 0.75 FNTA (0.39) ALDH1A1MAPTMAPK1LTB4R2SMN1; SMN2
SCHEMBL9586519 0.75 FNTA (0.40) ALDH1A1MAPTLTB4R2LMNASMN1; SMN2

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-100497300-C Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-06-10 CN claimed
CN-1203223-A Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-30 CN claimed
CN-100497300-C Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2009-06-10 CN disclosed
CN-1203223-A Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-30 CN disclosed