SCHEMBL9876235

SCHEMBL9876235

CCOC(c1ccccc1)(c1ccccc1)c1nc[nH]c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.37
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TK1 P04183 6/20 0.34
TK2 O00142 7/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTR3A P46098 1/20 0.32
GABRR1 P24046 1/20 0.32
SLC9A1 P19634 1/20 0.32

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
SCHEMBL2350021 0.74 KIF11 (0.56) KIF11TK1TK2ALDH1A1HDAC6
SCHEMBL19543320 0.70 KIF11 (0.47) KIF11TK1TK2HDAC6
SCHEMBL16477906 0.65 ESR1 (0.53) KIF11ALDH1A1HDAC6
SCHEMBL5921936 0.65 ALDH1A1 (0.43) KIF11ALDH1A1HDAC6
SCHEMBL20644235 0.64 KIF11 (0.50) KIF11HDAC6
SCHEMBL13003134 0.64 KIF11 (0.50) KIF11HDAC6
SCHEMBL379267 0.62 KCNN4 (0.43) KIF11ALDH1A1
SCHEMBL11156805 0.62 KCNN4 (0.43) KIF11ALDH1A1
SCHEMBL7053535 0.62 KCNN4 (0.43) KIF11ALDH1A1
SCHEMBL1935660 0.61 ALDH1A1 (0.38) KIF11KDM4EALDH1A1HDAC6

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
US-5045557-A Imidazable fungicides and use thereof SCHERING AGROCHEMICALS LTD. (GB) 1991-09-03 US disclosed
EP-0284277-A1 Cyanoimidazole fungicides AgrEvo UK Limited (GB) 1988-09-28 EP disclosed