SCHEMBL6939901

SCHEMBL6939901

COc1cc(N(O)C(=O)Cn2cc[n+](C)c2)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
ACHE P22303 1/20 0.30
PON1 P27169 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL6940908 0.99 LMNA (0.39) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6939468 0.88 LMNA (0.39) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6574244 0.87 MEN1 (0.36) MEN1KMT2A
Hydrochloric Acid SCHEMBL6941307 0.87 LMNA (0.38) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6574235 0.86 MEN1 (0.36) MEN1POLBKMT2A
SCHEMBL6946411 0.84 CYP1A2 (0.41) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6946519 0.84 CYP1A2 (0.41) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6941277 0.84 LMNA (0.41) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6943297 0.83 CYP1A2 (0.40) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6944288 0.83 CYP1A2 (0.40) LMNASMN1; SMN2CYP1A2CYP2C9CYP2C19

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