SCHEMBL6158097

SCHEMBL6158097

Nc1ccc2nc3cc[c]cc3[n+](-c3ccccc3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NLRP3 Q96P20 1/20 0.56
MAPT P10636 8/20 0.37
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
HTT P42858 4/20 0.37
ATM Q13315 2/20 0.37
TP53 P04637 2/20 0.37
CASP1 P29466 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 5/20 0.36
TLR9 Q9NR96 2/20 0.36
GAA P10253 4/20 0.35
HPGD P15428 3/20 0.35

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
Phenosafranine SCHEMBL41415 0.87 RAB9A (0.69) RAB9ANPC1L3MBTL1NLRP3MAPT
Phenosafranine SCHEMBL29424348 0.87 RAB9A (0.69) RAB9ANPC1L3MBTL1NLRP3MAPT
Phenosafranine SCHEMBL29588207 0.87 RAB9A (0.69) RAB9ANPC1L3MBTL1NLRP3MAPT
Phenosafranine SCHEMBL3139756 0.87 RAB9A (0.69) RAB9ANPC1L3MBTL1NLRP3MAPT
Phenosafranine SCHEMBL17477272 0.85 RAB9A (0.68) RAB9ANPC1L3MBTL1NLRP3MAPT
Phenosafranine SCHEMBL466891 0.85 RAB9A (0.68) RAB9ANPC1L3MBTL1NLRP3MAPT
SCHEMBL18422331 0.82 RAB9A (0.35) RAB9ANPC1L3MBTL1NLRP3MAPT
SCHEMBL19052327 0.82 NPC1 (0.64) RAB9ANPC1L3MBTL1NLRP3MAPT
Phenosafranine SCHEMBL11597066 0.80 RAB9A (0.61) RAB9ANPC1L3MBTL1NLRP3MAPT
SCHEMBL10005184 0.78 NPC1 (0.64) RAB9ANPC1L3MBTL1NLRP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1502579-A1 Composition for dyeing keratinic fibres comprising a particular azodiazine as direct dye and processes applying it L'OREAL (FR) 2005-02-02 EP disclosed