SCHEMBL11023723

SCHEMBL11023723

O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
TSHR P16473 2/20 0.59
CYP2C19 P33261 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 2/20 0.59
ALOX12 P18054 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
ALOX15 P16050 1/20 0.59
CSNK2A1 P68400 1/20 0.59
PRMT1 Q99873 1/20 0.55
THRB P10828 4/20 0.54
MAPT P10636 8/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MAPK1 P28482 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
PTPRA P18433 1/20 0.51
PTPRB P23467 1/20 0.51

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
SCHEMBL11023727 1.00 CYP1A2 (0.59) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30124927 1.00 CYP1A2 (0.59) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11850429 0.99 CYP1A2 (0.58) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11850423 0.99 CYP1A2 (0.58) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11850418 0.99 CYP1A2 (0.58) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL7113084 0.91 HPGD (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL7113087 0.91 HPGD (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30406838 0.91 HPGD (0.57) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11693241 0.90 CYP1A2 (0.54) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11693233 0.90 CYP1A2 (0.54) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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
EP-0162632-A2 Resin composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-27 EP disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-4050945-A METALLIC COMPOUND REACTANT, CHELATING COMPOUND REACTANT, BINDER SUZUKI YOSHIO 1977-09-27 US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 US disclosed