SCHEMBL9018907

SCHEMBL9018907

C[12c]1ccc(C(N)N)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
F2 P00734 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNA7 P36544 1/20 0.48
ALOX5 P09917 1/20 0.40
MAOA P21397 2/20 0.39
CA7 P43166 2/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL34363 1.00 ACHE (0.50) ACHEF2TDP1CHRNA7ALOX5
Methyl Alcohol SCHEMBL7119743 0.94 F2 (0.46) ACHEF2TDP1CHRNA7ALOX5
Carbamic Acid SCHEMBL8735462 0.85 LMNA (0.52) ACHEF2ALOX5ALDH1A1
Methyl Phosphonate SCHEMBL10763168 0.83 LMNA (0.46) ALOX5CA1CA9
SCHEMBL12068599 0.83 F2 (0.67) F2
SCHEMBL24017147 0.81 ACHE (0.50) ACHETDP1CHRNA7ALOX5MAOA
SCHEMBL3253749 0.81 ACHE (0.50) ACHETDP1CHRNA7ALOX5MAOA
SCHEMBL3258924 0.81 ACHE (0.50) ACHETDP1CHRNA7ALOX5MAOA
SCHEMBL12569051 0.81 ACHE (0.50) ACHETDP1CHRNA7ALOX5MAOA
SCHEMBL517129 0.81 ACHE (0.50) ACHETDP1CHRNA7ALOX5MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8118569-A None JP disclosed
JP-H08118569-A MULTILAYER ORIENTED FILM UNITIKA LTD 1996-05-14 JP disclosed