SCHEMBL7171963

SCHEMBL7171963

[NaH].[NaH].c1ccc2c(c1)Nc1ccccc1N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
MAPT P10636 4/20 0.56
NOX1 Q9Y5S8 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
MAOA P21397 2/20 0.53
ALOX5 P09917 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CNR1 P21554 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2C P28335 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL624418 0.96 GAA (0.59) GAAMAPTNOX1MEN1KMT2A
SCHEMBL76607 0.96
SCHEMBL29369547 0.96 GAA (0.59) GAAMAPTNOX1MEN1KMT2A
SCHEMBL2676730 0.96 GAA (0.59) GAAMAPTNOX1MEN1KMT2A
Fluoride SCHEMBL6264312 0.92
Water SCHEMBL3526962 0.92
Formaldehyde SCHEMBL1144590 0.85
Naphthalene SCHEMBL5071443 0.85 ALOX12 (0.57) GAAMAPTNOX1MEN1KMT2A
SCHEMBL12263849 0.80 NOX1 (0.46) GAAMAPTNOX1MEN1KMT2A
SCHEMBL30127774 0.77 NOX1 (0.58) GAAMAPTNOX1MEN1KMT2A

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
US-6569361-B1 Polycondensation or polyaddition of electrochromic monomers are used in devices for variable transparency BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 US disclosed