SCHEMBL9155604

SCHEMBL9155604

IC#CCOc1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
NR1I2 O75469 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TACR2 P21452 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADORA1 P30542 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GALE Q14376 1/20 0.40
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL920519 0.79 ADAM17 (0.46)
SCHEMBL11483215 0.78 KCNH2 (0.50) KCNH2NR1I2ADRA2AADORA3ADRA2B
SCHEMBL919681 0.78 MTNR1A (0.43) KCNH2KDM4EALDH1A1
SCHEMBL9157543 0.77 KCNH2 (0.36) KCNH2NR1I2ADRA2AADORA3ADRA2B
SCHEMBL920286 0.76 ALDH1A1 (0.38) KCNH2KDM4EALDH1A1
SCHEMBL22494 0.76 SYK (0.37) KDM4EALDH1A1CA12CA1CA9
SCHEMBL8092225 0.75 KDM4E (0.53) KCNH2NR1I2ADRA2AADORA3ADRA2B
SCHEMBL11478548 0.75 KCNH2 (0.40) KCNH2NR1I2ADRA2AADORA3ADRA2B
SCHEMBL122928 0.74 CA12 (0.48) KDM4EALDH1A1CA12CA1CA2
SCHEMBL921879 0.73 KCNH2 (0.42) KCNH2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443513-B1 Azoxy compounds KOWA CO (JP) 1995-02-22 EP disclosed
US-5264559-A Fungicides KOWA COMPANY LTD. (JP) 1993-11-23 US disclosed
EP-0443513-A2 Azoxy compounds KOWA COMPANY, LTD. (JP) 1991-08-28 EP disclosed