SCHEMBL27664686

SCHEMBL27664686

COc1cc2ccc(OCc3ccccc3)cc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
MAOB P27338 3/20 0.54
CYP3A4 P08684 2/20 0.53
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
MAOA P21397 2/20 0.47
FLT3 P36888 1/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
MTNR1A P48039 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SCD O00767 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL7456912 0.82 MAOB (0.55) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL9136135 0.81 ALOX5 (0.58) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL27970437 0.81 ALOX5 (0.58) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL27643424 0.81 ALOX5 (0.58) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL6172684 0.80 ALOX5 (0.54) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL7455290 0.80 MAOB (0.55) ALOX5MAOBCYP3A4NPC1SCD
SCHEMBL6807350 0.79 ALOX5 (0.57) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL3745463 0.79 CYP3A4 (0.50) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL30430896 0.78 ALOX5 (0.55) ALOX5MAOBCYP3A4CA12CA1
SCHEMBL5442084 0.78 ALOX5 (0.55) ALOX5MAOBCYP3A4CA12CA1

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
CN-1890221-B 1-N-phenyl-amino-1H-imidazole derivatives and pharmaceutical compositions containing them THERAMEX 2014-07-16 CN disclosed
CN-1890221-A 1-N-phenyl-amino-1H-imidazole derivatives and pharmaceutical compositions containing them THERAMEX (MC) 2007-01-03 CN disclosed