SCHEMBL9458140

SCHEMBL9458140

CC1CCOC(Cn2cncn2)(c2ccc(Oc3ccccc3)cc2)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 5/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1I2 O75469 1/20 0.33
FYN P06241 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL9458158 0.90 HSP90AA1 (0.53) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL9458577 0.88 HSP90AA1 (0.52) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL9457977 0.86 KDM4E (0.46) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL9457894 0.84 ALDH1A1 (0.44) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL9458027 0.84 HSP90AA1 (0.45) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL9458028 0.82 HSP90AA1 (0.63) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL9458278 0.80 HSP90AA1 (0.74) HSP90AA1NPSR1GAAHSD17B10KDM4E
SCHEMBL30514271 0.80 CYP3A4 (0.60) HSP90AA1NPSR1KDM4ETSHRCYP3A4
SCHEMBL1280077 0.80 CYP3A4 (0.60) HSP90AA1NPSR1KDM4ETSHRCYP3A4
SCHEMBL9457917 0.80 HSP90AA1 (0.57) HSP90AA1NPSR1GAAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266585-A Controlling phytopathogenic microorganisms, fungicides, antimycotics, anticonvulsives and/or anxiolytic agents CIBA-GEIGY CORPORATION (US) 1993-11-30 US claimed
EP-0065485-B1 ARYLPHENYL ETHER DERIVATIVES AS MICROBICIDES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1990-04-18 EP claimed
EP-0065485-A2 Arylphenyl ether derivatives as microbicides, process for their preparation and their application CIBA-GEIGY AG (CH) 1982-11-24 EP claimed
US-5266585-A Controlling phytopathogenic microorganisms, fungicides, antimycotics, anticonvulsives and/or anxiolytic agents CIBA-GEIGY CORPORATION (US) 1993-11-30 US disclosed
EP-0065485-B1 ARYLPHENYL ETHER DERIVATIVES AS MICROBICIDES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION CIBA-GEIGY AG (CH) 1990-04-18 EP disclosed
EP-0065485-A2 Arylphenyl ether derivatives as microbicides, process for their preparation and their application CIBA-GEIGY AG (CH) 1982-11-24 EP disclosed