SCHEMBL11693233

SCHEMBL11693233

Nc1ccc2ccccc2c1/N=N/c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CSNK2A1 P68400 1/20 0.54
PRMT1 Q99873 1/20 0.51
APEX1 P27695 1/20 0.49
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11693241 1.00 CYP1A2 (0.54) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30124927 0.90 CYP1A2 (0.59) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11023727 0.90 CYP1A2 (0.59) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11023723 0.90 CYP1A2 (0.59) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11850418 0.89 CYP1A2 (0.58) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11850423 0.89 CYP1A2 (0.58) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL11850429 0.89 CYP1A2 (0.58) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29259106 0.84 CYP1A2 (0.70) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL14608377 0.82 MEN1 (0.49) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL7113087 0.81 HPGD (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 US disclosed