SCHEMBL2939028

SCHEMBL2939028

Nc1ccccc1Nc1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
SLC40A1 Q9NP59 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
NFKBIA P25963 2/20 0.58
RELA Q04206 1/20 0.58
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
PLAU P00749 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
BLM P54132 2/20 0.50
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC1 Q13547 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GLO1 Q04760 3/20 0.49
G6PD P11413 1/20 0.49

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
SCHEMBL13337941 0.87 MEN1 (0.56) MEN1KMT2ASLC40A1TDP1NFKBIA
SCHEMBL379216 0.87 GLO1 (0.59) MEN1KMT2ASLC40A1TDP1NFKBIA
SCHEMBL341142 0.79 SLC40A1 (0.62) MEN1KMT2ASLC40A1TDP1NFKBIA
SCHEMBL28105485 0.78 SLC40A1 (0.61) MEN1KMT2ASLC40A1TDP1NFKBIA
SCHEMBL28105312 0.78 SLC40A1 (0.64) MEN1KMT2ASLC40A1NFKBIARELA
8-Aminoquinoline SCHEMBL28187659 0.77 LMNA (0.56) MEN1KMT2ASLC40A1TDP1NFKBIA
SCHEMBL27928520 0.77 KMT2A (0.66) MEN1KMT2ASLC40A1TDP1NFKBIA
8-Aminoquinoline SCHEMBL159694 0.77 LMNA (0.61) MEN1KMT2ASLC40A1TDP1NFKBIA
8-Aminoquinoline SCHEMBL29735354 0.77 LMNA (0.61) MEN1KMT2ASLC40A1TDP1NFKBIA
SCHEMBL31130165 0.76 CYP3A4 (0.61) MEN1KMT2ASLC40A1TDP1NFKBIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008211-A Betainic azo dyestuffs containing cobalt in complex union with a colorless, tridentate ligand CIBA-GEIGY AG (CH) 1977-02-15 US claimed
JP-5375033-B2 2013-12-25 JP disclosed
JP-2010113894-A CATALYST, METHOD OF MANUFACTURING THE SAME, FUEL ELECTRODE FOR FUEL CELL, AND FUEL CELL IHI CORP 2010-05-20 JP disclosed
JP-2006085976-A ELECTROCATALYST FOR HYDROGEN ELECTRODE OF LOW-TEMPERATURE TYPE FUEL CELL NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY 2006-03-30 JP disclosed
US-5240897-A HEAT-SENSITIVE RECORDING MATERIAL CIBA-GEIGY CORPORATION (US) 1993-08-31 US disclosed
EP-0432091-A1 Heat sensitive recording material CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
US-4008211-A Betainic azo dyestuffs containing cobalt in complex union with a colorless, tridentate ligand CIBA-GEIGY AG (CH) 1977-02-15 US disclosed