SCHEMBL3230947

SCHEMBL3230947

CC(Cc1ccc(Cl)cc1Cl)CC(C(O)C1(Cl)CC1)n1cncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 5/20 0.34
MC4R P32245 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
POLB P06746 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
SCHEMBL3239281 0.90 MEN1 (0.59) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL3232820 0.87 MEN1 (0.56) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL3233845 0.84 MEN1 (0.67) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL2429794 0.82 MEN1 (0.82) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL3241681 0.79 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL3235788 0.77 MEN1 (0.50) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL3230944 0.76 MEN1 (0.55) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL3240771 0.75 MEN1 (0.48) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL11178618 0.75 MEN1 (0.62) MEN1KMT2ATDP1ALDH1A1HSP90AA1
SCHEMBL11489337 0.74 MEN1 (1.00) MEN1KMT2ATDP1ALDH1A1HSP90AA1

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-2010029066-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed