SCHEMBL6945393

SCHEMBL6945393

COC(=O)Nc1ccc(NC(=O)Cn2cc[n+](C)c2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 7/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 3/20 0.38
KDM4C Q9H3R0 1/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
Hydrochloric Acid SCHEMBL6941708 0.99 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL6939926 0.96 CYP2C19 (0.39) ALDH1A1HPGDCYP1A2CYP2C19TSHR
Hydrochloric Acid SCHEMBL6942087 0.94 CYP2C19 (0.38) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL6946140 0.92 HPGD (0.44) ALDH1A1HPGDCYP1A2CYP2C19TSHR
Hydrochloric Acid SCHEMBL6939292 0.91 HPGD (0.43) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL6943122 0.89 POLB (0.43) ALDH1A1HPGDCYP1A2CYP2C19TSHR
Hydrochloric Acid SCHEMBL6944277 0.88 POLB (0.42) ALDH1A1HPGDCYP1A2CYP2C19TSHR
SCHEMBL6943594 0.86 POLB (0.40) ALDH1A1HPGDCYP1A2CYP2C19TSHR
Hydrochloric Acid SCHEMBL7629738 0.86 HSP90AA1 (0.39) ALDH1A1HPGDCYP1A2CYP2C19TSHR
Hydrochloric Acid SCHEMBL5243053 0.85 POLB (0.40) ALDH1A1HPGDCYP1A2CYP2C19TSHR

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-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed