SCHEMBL9458027

SCHEMBL9458027

CC1OC(Cn2cncn2)(c2ccc(Oc3ccccc3)cc2)OC1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP19A1 P11511 1/20 0.38
CYP3A4 P08684 3/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 4/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL11544322 0.89 GAA (0.49) HSP90AA1NPSR1ALDH1A1KDM4EGAA
SCHEMBL9458158 0.85 HSP90AA1 (0.53) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9458140 0.84 HSP90AA1 (0.47) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9457977 0.83 KDM4E (0.46) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9458028 0.82 HSP90AA1 (0.63) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL11543476 0.82 CYP3A4 (0.51) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9457894 0.81 ALDH1A1 (0.44) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9458577 0.80 HSP90AA1 (0.52) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9458278 0.80 HSP90AA1 (0.74) HSP90AA1NPSR1ALDH1A1KDM4ETSHR
SCHEMBL9457917 0.79 HSP90AA1 (0.57) HSP90AA1NPSR1ALDH1A1KDM4ETSHR

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
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-A2 Arylphenyl ether derivatives as microbicides, process for their preparation and their application CIBA-GEIGY AG (CH) 1982-11-24 EP disclosed