SCHEMBL1979097

SCHEMBL1979097

NCCONc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NR4A1 P22736 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAD52 P43351 1/20 0.34
APP P05067 2/20 0.34
TDP1 Q9NUW8 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 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
SCHEMBL33691 0.81 MAPT (0.39) CYP3A4MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL3183189 0.80 TAAR1 (0.46) CYP3A4MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL27763969 0.78 TSHR (0.46) CYP3A4MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL5718659 0.76 NR4A1 (0.36) CYP3A4MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL2026345 0.76 TDP1 (0.46) CYP3A4MAPTALDH1A1L3MBTL1CYP1A2
SCHEMBL16742377 0.75 MAPT (0.49) CYP3A4MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL8215550 0.72 GFER (0.42) MAPTALDH1A1RAB9AGFER
Ethylenediamine SCHEMBL8661671 0.72 MEN1 (0.67) CYP3A4MAPTALDH1A1L3MBTL1LOXL2
SCHEMBL33559 0.71 MTNR1A (0.45) MAPTALDH1A1L3MBTL1CYP2C19RAB9A
SCHEMBL2779394 0.67 NR4A1 (0.52) CYP3A4MAPTALDH1A1L3MBTL1CYP1A2

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-2509977-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'Oréal (FR) 2012-10-17 EP disclosed
EP-2509951-A1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF L'Oréal (FR) 2012-10-17 EP disclosed
WO-2011069952-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 WO disclosed
WO-2011069898-A1 NOVEL CATIONIC AMINOPYRIDINES, DYE COMPOSITION COMPRISING A CATIONIC AMINOPYRIDINE, PROCESSES THEREFOR AND USES THEREOF L'OREAL (FR) 2011-06-16 WO disclosed
EP-1868687-A1 AQUEOUS COMPOSITION COMPRISING HYDROGEN PEROXIDE AND INERT PARTICLES L'Oréal (FR) 2007-12-26 EP disclosed
WO-2006106000-A1 AQUEOUS COMPOSITION COMPRISING HYDROGEN PEROXIDE AND INERT PARTICLES L'ORÉAL (FR) 2006-10-12 WO disclosed