SCHEMBL6216347

SCHEMBL6216347

Cc1cccn2c(C(=O)C[n+]3ccccc3)c(-c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 6/20 0.38
LMNA P02545 5/20 0.38
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PABPC1 P11940 2/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 4/20 0.35
MAPT P10636 2/20 0.35
MITF O75030 1/20 0.35
NR2F2 P24468 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.34

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 SCHEMBL6215660 0.99 KDM4E (0.42) KDM4EALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL6213465 0.87 KMT2A (0.40) KDM4EALDH1A1LMNATHRBSMN1; SMN2
Hydrochloric Acid SCHEMBL6215709 0.86 KMT2A (0.40) KDM4EALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL6215452 0.85 ALDH1A1 (0.47) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6216599 0.84 ALDH1A1 (0.48) KDM4EALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6213516 0.80 SMN1; SMN2 (0.54) KDM4EALDH1A1LMNATHRBSMN1; SMN2
SCHEMBL6214878 0.78 KMT2A (0.54) KDM4EALDH1A1LMNATHRBKMT2A
SCHEMBL6221031 0.77 LMNA (0.38) KDM4EALDH1A1LMNATHRBSMN1; SMN2
Pyridine SCHEMBL7179770 0.77 MEN1 (0.38) KDM4EALDH1A1LMNATHRBSMN1; SMN2
Hydrochloric Acid SCHEMBL6218147 0.76 LMNA (0.37) KDM4EALDH1A1LMNATHRBATM

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