SCHEMBL6258221

SCHEMBL6258221

c1ccc(NC2CCCCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.45
HTR6 P50406 4/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 1/20 0.43
KDM1A O60341 4/20 0.42
HTR2A P28223 2/20 0.42
CISD1 Q9NZ45 1/20 0.42
SLC6A2 P23975 1/20 0.42
MAOB P27338 1/20 0.42
HTR1B P28222 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR7 P34969 1/20 0.42
SLC18A3 Q16572 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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 SCHEMBL6258350 0.98 HTR6 (0.45) SOS1HTR6PAK4CHEK2KDM1A
SCHEMBL4965283 0.95 CHEK2 (0.47) SOS1HTR6PAK4CHEK2KDM1A
SCHEMBL918020 0.91 HTR6 (0.49) SOS1HTR6PAK4KDM1AHTR2A
Hydrochloric Acid SCHEMBL17911190 0.89 HTR6 (0.50) SOS1HTR6PAK4KDM1AHTR2A
SCHEMBL1425186 0.84 KDM4E (0.52) GAAMAPTLMNAPOLBKDM4E
SCHEMBL24198978 0.82 KDM4E (0.53) GAAMAPTLMNAPOLBKDM4E
Hydrochloric Acid SCHEMBL11683673 0.82 GAA (0.50) GAAMAPTLMNAPOLBKDM4E
SCHEMBL18639265 0.82 KDM4E (0.53) GAAMAPTLMNAPOLBKDM4E
SCHEMBL24514268 0.82 KDM4E (0.53) GAAMAPTLMNAPOLBKDM4E
SCHEMBL1485904 0.82 KDM4E (0.53) GAAMAPTLMNAPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068431-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AT LEAST ONE PARA-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2005-07-28 WO claimed
WO-2005068431-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AT LEAST ONE PARA-PHENYLENEDIAMINE DERIVATIVE L'OREAL (FR) 2005-07-28 WO disclosed