SCHEMBL9729680

SCHEMBL9729680

C#CC(C)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
TP53 P04637 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PYCR1 P32322 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 2/20 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
SCHEMBL6141121 0.82 LMNA (0.57) LMNATP53HTTMEN1KMT2A
SCHEMBL10079577 0.80 PYCR1 (0.41) LMNATP53HTTMEN1KMT2A
SCHEMBL254284 0.78 LMNA (0.68) LMNATP53HTTMEN1KMT2A
SCHEMBL31045502 0.78 LMNA (0.68) LMNATP53HTTMEN1KMT2A
SCHEMBL18097894 0.78 TP53 (0.68) LMNATP53HTTMEN1KMT2A
SCHEMBL609775 0.78 TP53 (0.47) LMNATP53HTTALDH1A1GAA
SCHEMBL28351852 0.78 TP53 (0.57) LMNATP53HTTMEN1KMT2A
SCHEMBL18075310 0.76 PDE2A (0.65) LMNA
SCHEMBL15053379 0.76 TP53 (0.65) LMNATP53HTTMEN1KMT2A
SCHEMBL5108877 0.76 TP53 (0.65) LMNATP53HTTMEN1KMT2A

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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 US disclosed