SCHEMBL7019060

SCHEMBL7019060

COC(=O)Nc1ccc2cccc(NC(=O)Cn3cc[n+](C)c3)c2c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 2/20 0.36
PLAU P00749 1/20 0.34
KDM4E B2RXH2 4/20 0.34
AHR P35869 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7027119 1.00 HPGD (0.36) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL7025161 0.99 KDM4E (0.36) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL7021856 0.99 KDM4E (0.36) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL7020504 0.94 HPGD (0.40) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL7101165 0.93 HPGD (0.39) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL7024028 0.90 HPGD (0.41) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL7017575 0.90 HPGD (0.41) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL7019707 0.89 HPGD (0.40) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
Hydrochloric Acid SCHEMBL7022378 0.89 HPGD (0.40) HPGDCYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL7017578 0.85 HPGD (0.35) HPGDCYP2C9SMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP claimed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
EP-1066246-B1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING OREAL (FR) 2003-11-05 EP disclosed
EP-1066246-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO disclosed