SCHEMBL11489337

SCHEMBL11489337

CC(C)(C)[C@@H](O)[C@@H](Cc1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
TDP1 Q9NUW8 2/20 1.00
HSP90AA1 P07900 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 7/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
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

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
SCHEMBL21654 1.00 MEN1 (1.00) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL29934164 1.00 MEN1 (1.00) MEN1KMT2ATDP1HSP90AA1POLB
Dichlorophen SCHEMBL8309241 0.92 MEN1 (0.84) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL2429794 0.90 MEN1 (0.82) MEN1KMT2ATDP1HSP90AA1POLB
Triadimenol SCHEMBL10561750 0.90 MEN1 (0.81) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL10739338 0.89 MEN1 (0.80) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL10740834 0.89 MEN1 (0.80) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL11380837 0.88 KMT2A (0.79) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL12394770 0.86 MEN1 (0.76) MEN1KMT2ATDP1HSP90AA1POLB
SCHEMBL19304856 0.85 KMT2A (0.74) MEN1KMT2ATDP1HSP90AA1POLB

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
EP-0015639-A2 Enantiomers of triazole compounds, a process for preparing them, their use as plant fungicides and growth regulating agents and compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-09-17 EP claimed