SCHEMBL6945490

SCHEMBL6945490

C[n+]1ccn(CC(=O)Nc2c(N)cccc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 6/20 0.34
MAPK1 P28482 3/20 0.34
MAPT P10636 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 SCHEMBL6942128 0.99 LMNA (0.41) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6573847 0.85 MEN1 (0.42) LMNACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6574924 0.84 KMT2A (0.41) LMNACA12CA1CA2CA9
SCHEMBL6943608 0.83 LMNA (0.40) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6944197 0.83 LMNA (0.39) LMNASMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL6941826 0.82 LMNA (0.39) LMNASMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL6943223 0.82 LMNA (0.38) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6943172 0.80 MAPT (0.49) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6945544 0.79 LMNA (0.36) LMNASMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL6940683 0.79 HPGD (0.48) LMNASMN1; SMN2CA12CA1CA2

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