SCHEMBL11029673

SCHEMBL11029673

Nc1cc(Cl)c(Oc2cccc3ccccc23)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.47
HPGD P15428 3/20 0.45
SCN9A Q15858 2/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
CYP2A6 P11509 2/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1B P28222 2/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
KEAP1 Q14145 1/20 0.38
GAA P10253 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
SCHEMBL3484572 0.82 ESRRA (0.56) ESRRAHPGDSCN9AKDM1ARCOR1
SCHEMBL8656155 0.81 ESRRA (0.47) ESRRAHPGDCYP2A6CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL10884537 0.81 ESRRA (0.54) ESRRAHPGDSCN9AKDM1ARCOR1
SCHEMBL11029935 0.79 IDO1 (0.51) ESRRAHPGDCYP1A2CYP3A4GAA
SCHEMBL11026917 0.77 ALOX5 (0.54) ESRRAHPGDCYP1A2ALDH1A1CYP3A4
SCHEMBL10988253 0.77 HPGD (0.66) ESRRAHPGDSCN9AKDM1ARCOR1
SCHEMBL9324242 0.77 ALDH1A1 (0.56) ESRRAHPGDKDM1ARCOR1HTR1B
SCHEMBL7219795 0.76 HPGD (0.45) ESRRAHPGDSCN9AKDM1ARCOR1
SCHEMBL5402131 0.76 HTR1B (0.48) ESRRAHPGDCYP2A6CYP1A2HTR1B
SCHEMBL11027863 0.75 EGFR (0.38)

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-4426385-A Insecticidal bicyclooxyphenyl ureas UNION CARBIDE CORPORATION (US) 1984-01-17 US disclosed
EP-0050321-A2 Novel bicyclooxyphenyl ureas, process for their preparation and pesticides containing them UNION CARBIDE CORPORATION (US) 1982-04-28 EP disclosed