SCHEMBL6833256

SCHEMBL6833256

COC(=O)C1=CN(C(C)I)C=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ KDM4E B2RXH2 10/20 0.54
▸ HPGD P15428 9/20 0.54
▸ HSD17B10 Q99714 7/20 0.54
▸ MAPK1 P28482 6/20 0.54
▸ TDP1 Q9NUW8 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ TSHR P16473 4/20 0.54
▸ ADORA3 P0DMS8 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ ABCC4 O15439 2/20 0.54
▸ CACNA1F O60840 2/20 0.54
▸ ABCB11 O95342 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ ADORA1 P30542 2/20 0.54
▸ OPRM1 P35372 2/20 0.54
▸ SCN1A P35498 2/20 0.54

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
SCHEMBL1673055 0.87 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1720223 0.84 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL30186935 0.84 KDM4E (0.64) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL8022086 0.82 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11808823 0.82 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1357406 0.81 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL29446574 0.81 KDM4E (0.60) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1673056 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL1719572 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL30849083 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746816-B2 POLYAMIC POLYMER, A 3,5-DICARBOXYLIC ACID OR ESTER, 4-(O-NITROPHENYL)-1,4-DIHYDROPYRIDEINE AND POLYOXYETHYLENE GLYCOL; DIELECTRIC LAYERS FOR PRINTED CIRCUITS; ONLY AQUEOUS ALKALINE SOLUTION FOR HIGH-SPEED NITTO DENKO CORPORATION (JP) 2004-06-08 — — US disclosed
US-20020055062-A1 Photosensitive resin composition and circuit board NITTO DENKO CORPORATION 2002-05-09 — — US disclosed
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