SCHEMBL20734709

SCHEMBL20734709

N#COc1ccc(C2=CCC(c3ccc(OC#N)cc3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR2 Q92731 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
SCHEMBL20734692 0.87
SCHEMBL22269082 0.80 ALDH1A1 (0.51) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9136281 0.76 ESR2 (0.38) ESR2
SCHEMBL2720781 0.75 ESR2 (0.41) ALDH1A1SMN1; SMN2ESR2
SCHEMBL20734702 0.75 HRH3 (0.33)
SCHEMBL2721633 0.74 ESR2 (0.57) ESR2
SCHEMBL29091934 0.73 HRH3 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2ESR2
SCHEMBL2718585 0.72 HRH3 (0.40) ALDH1A1ESR2
SCHEMBL20003490 0.72 ESR2 (0.47) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL8849454 0.72 HRH3 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019031178-A1 RESIN COMPOSITION, CURED PRODUCT, SINGLE-LAYER RESIN SHEET, LAMINATED RESIN SHEET, PREPREG, METAL-FOILED LAMINATE SHEET, PRINTED CIRCUIT BOARD, SEALING MATERIAL, FIBER REINFORCED COMPOSITE MATERIAL, AND ADHESIVE AGENT 三菱瓦斯化学株式会社 2019-02-14 WO disclosed