SCHEMBL10911920

SCHEMBL10911920

CC(C(O)c1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP19A1 P11511 6/20 0.49
HSP90AA1 P07900 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA2C P18825 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL10506374 0.83 CYP19A1 (0.49) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10510963 0.83 MEN1 (0.50) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL29776976 0.83 MEN1 (0.50) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10951901 0.81 MEN1 (0.54) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10819136 0.80 CYP19A1 (0.46) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL852200 0.80 MEN1 (0.53) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL9367742 0.80 CYP19A1 (0.61) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL9202578 0.79 MEN1 (0.46) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL9385857 0.79 MEN1 (0.49) MEN1KMT2ATDP1CYP19A1HSP90AA1
SCHEMBL10890330 0.79 CYP19A1 (0.43) MEN1KMT2ATDP1CYP19A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0173807-A1 Triazolylacyloxy ethanes, fungicide containing the same as an active ingredient and method of controlling fungi using the same MITSUBISHI KASEI CORPORATION (JP) 1986-03-12 EP disclosed
US-4536509-A BACTERICIDES, FUNGICIDES, HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1985-08-20 US disclosed
EP-0146064-A2 1,1-Diphenyl-2-triazolyl-2-alkyl ethanes, their preparation and use as biocides HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-26 EP disclosed
EP-0068144-A1 1,1-Diphenyl-2-triazolyl-ethanes, their preparation and their application as fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed