SCHEMBL7463306

SCHEMBL7463306

COc1c(C)cccc1COc1cccc(C2=NN(C)C(c3ccccc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 14/20 0.52
▸ MAOA P21397 11/20 0.52
▸ PDE5A O76074 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ EGFR P00533 2/20 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
SCHEMBL7456133 0.94 MAOB (0.56) MAOBMAOACA12CA1CA2
SCHEMBL8441406 0.74 HTR2A (0.41) MAOBMAOA
SCHEMBL17454724 0.74 MAOB (0.82) MAOBMAOA
SCHEMBL7456837 0.72 MAOB (0.73) MAOBMAOA
SCHEMBL31429939 0.71 MAOB (1.00) MAOBMAOA
SCHEMBL9626269 0.69 PDE5A (0.71) MAOBMAOAPDE5ACA1CA2
SCHEMBL7461031 0.68 MAOB (0.73) MAOBMAOA
SCHEMBL14081504 0.67 MAOB (0.88) MAOBMAOACA1CA2
SCHEMBL14081500 0.67 MAOB (1.00) MAOBMAOA
SCHEMBL6294187 0.65 EGFR (0.65) MAOBMAOAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10059944-A — — None — — JP disclosed
EP-0811614-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2002-09-25 — — EP disclosed
US-5886015-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS OF THE SEED, PLANT OR SOIL ROHM AND HAAS COMPANY (US) 1999-03-23 — — US disclosed
JP-H1059944-A BENZYLOXY-SUBSTITUTED PHENYL COMPOUND ROHM & HAAS CO 1998-03-03 — — JP disclosed
EP-0811614-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1997-12-10 — — EP disclosed
Send feedback