SCHEMBL11596366

SCHEMBL11596366

N=C(N)Nc1ccc(O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.44
TOP1 P11387 2/20 0.42
ARG1 P05089 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
ALOX15 P16050 4/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLH Q9Y253 1/20 0.39
PYGL P06737 1/20 0.39
F2 P00734 4/20 0.37
F10 P00742 3/20 0.37
PLAU P00749 3/20 0.37
PLAT P00750 3/20 0.37
APP P05067 1/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TMPRSS6 Q8IU80 1/20 0.35
ST14 Q9Y5Y6 1/20 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
Hydrochloric Acid SCHEMBL11594293 0.98 SNCA (0.43) SNCATOP1ARG1ERCC1ERCC4
SCHEMBL14868391 0.84 SNCA (0.40) SNCATOP1ARG1ERCC1ERCC4
SCHEMBL10310173 0.82 ALDH1A1 (0.51) ALOX15F2F10PLAUPLAT
SCHEMBL11593474 0.82 PDE10A (0.45) ALOX15F2F10PLAUPLAT
SCHEMBL11128532 0.82 ALOX15 (0.43) SNCAALOX15F2F10PLAU
SCHEMBL11133331 0.81 ALOX15 (0.47) SNCATOP1ARG1ERCC1ERCC4
SCHEMBL11275768 0.81 PYGL (0.49) SNCATOP1ERCC1ERCC4ALOX15
Hydrochloric Acid SCHEMBL11511126 0.80 ALDH1A1 (0.45) MAOAMAOB
SCHEMBL11595524 0.79 XDH (0.46) F2F10PLAUPLATPRSS1
SCHEMBL30506422 0.78 KMT2A (0.57) SNCATOP1ARG1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4014934-A VASOCONSTRICTORS ARMOUR PHARMACEUTICAL COMPANY (US) 1977-03-29 US claimed
US-4109014-A VASOCONSTRICTORS ARMOUR PHARMACEUTICAL COMPANY (US) 1978-08-22 US disclosed
US-4060554-A VASOCONSTRICTORS ARMOUR PHARMACEUTICAL COMPANY (US) 1977-11-29 US disclosed
US-4014934-A VASOCONSTRICTORS ARMOUR PHARMACEUTICAL COMPANY (US) 1977-03-29 US disclosed