SCHEMBL3090736

SCHEMBL3090736

S=[C]c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 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
SCHEMBL15947627 0.83 NCF1 (0.54) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL29619912 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL6102087 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL21858489 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL736202 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL30098629 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL828123 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL1160101 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL6853883 0.76 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL7207702 0.76 NCF1 (0.47) NCF1LOXL2HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
CN-101370875-A Optical recording medium and azo metal chelate compound MITSUI CHEMICALS INC (JP) 2009-02-18 CN disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed