SCHEMBL8082283

SCHEMBL8082283

Oc1cccc(C2=NNC(c3cccs3)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ACHE P22303 5/20 0.53
BCHE P06276 4/20 0.53
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CA1 P00915 1/20 0.36
HSD17B1 P14061 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
PRKCZ Q05513 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL7203205 0.85 MAPT (0.58) MAPTKDM4EMEN1KMT2AACHE
SCHEMBL7205979 0.84 MEN1 (0.65) MAPTKDM4EMEN1KMT2AACHE
SCHEMBL7203726 0.81 MEN1 (0.53) MAPTKDM4EMEN1KMT2ABCHE
SCHEMBL7204297 0.79 MAPT (0.55) MAPTKDM4EMEN1KMT2AACHE
SCHEMBL7202753 0.79 KDM4E (0.58) MAPTKDM4EMEN1KMT2AACHE
SCHEMBL7204273 0.78 MEN1 (0.64) MAPTKDM4EMEN1KMT2AACHE
SCHEMBL7206304 0.77 MEN1 (0.52) MAPTKDM4EMEN1KMT2ABCHE
SCHEMBL7206032 0.77 MAPT (0.52) MAPTKDM4EMEN1KMT2ABCHE
SCHEMBL7203657 0.77 KDM4E (0.52) MAPTKDM4EMEN1KMT2ABCHE
SCHEMBL7200601 0.77 MEN1 (0.65) MAPTKDM4EMEN1KMT2ABCHE

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
CN-1107049-C Benzyloxy substituted aromatics and their use as fungicides and insecticides DOW BENEFITING AGRICULTURE CO (US) 2003-04-30 CN disclosed
EP-0889024-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 2000-09-13 EP disclosed
US-5945557-A PHENYL DERIVATIVES WHICH POSSESS A SUBSTITUTED CYCLOPROPYL MOIETY; USEFUL AGAINST POWDERY MILDEW, BLIGHT AND OTHER PLATN DISEASES; INSECTICIDES AGAINST SOUTHERN ARMYWORM, MEXICAN BEAN BEETLE AND SPIDER MITES, FOR EXAMPLE ROHM AND HAAS COMPANY (US) 1999-08-31 US disclosed
CN-1204637-A Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 1999-01-13 CN disclosed
EP-0889024-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-01-07 EP disclosed