SCHEMBL6213465

SCHEMBL6213465

Cc1cccn2c(C(=O)C[n+]3ccccc3C)c(-c3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
THRB P10828 2/20 0.39
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
MMP14 P50281 1/20 0.33
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
RECQL P46063 1/20 0.32
AHR P35869 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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 SCHEMBL6215709 0.99 KMT2A (0.40) KMT2ATHRBKDM4ESMN1; SMN2MEN1
SCHEMBL6214878 0.90 KMT2A (0.54) KMT2ATHRBKDM4EMEN1LMNA
SCHEMBL6216347 0.87 KDM4E (0.43) KMT2ATHRBKDM4ESMN1; SMN2MEN1
SCHEMBL6217020 0.86 CYP2C19 (0.42) KMT2ASMN1; SMN2MEN1CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL6215660 0.86 KDM4E (0.42) KMT2ATHRBKDM4ESMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6217243 0.86 CYP2C19 (0.44) KMT2ASMN1; SMN2MEN1CYP2C19L3MBTL1
SCHEMBL6218151 0.84 SMN1; SMN2 (0.52) KMT2ATHRBKDM4ESMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6214106 0.83 SMN1; SMN2 (0.51) KMT2ATHRBKDM4ESMN1; SMN2MEN1
Pyridine SCHEMBL7179770 0.76 MEN1 (0.38) KMT2ATHRBKDM4ESMN1; SMN2MEN1
SCHEMBL6215452 0.76 ALDH1A1 (0.47) KMT2AKDM4ESMN1; SMN2MEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP claimed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP claimed
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP disclosed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP disclosed