SCHEMBL22732971

SCHEMBL22732971

O=C1C(Cl)C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
S100A4 P26447 2/20 0.44
EDNRA P25101 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 4/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL20503289 0.83 SMN1; SMN2 (0.47) SMN1; SMN2S100A4EDNRAMAPTLMNA
SCHEMBL10843954 0.80 SMN1; SMN2 (0.65) SMN1; SMN2EDNRAMAPTLMNATP53
SCHEMBL15580875 0.74 SMN1; SMN2 (0.58) SMN1; SMN2EDNRAMAPTLMNATP53
SCHEMBL16689762 0.74 SMN1; SMN2 (0.58) SMN1; SMN2EDNRAMAPTLMNATP53
SCHEMBL11549835 0.72 S100A4 (0.54) SMN1; SMN2S100A4EDNRAMAPTLMNA
SCHEMBL2300494 0.69 SMN1; SMN2 (0.38) SMN1; SMN2S100A4EDNRAMAPTLMNA
SCHEMBL12474357 0.68 SMN1; SMN2 (0.52) SMN1; SMN2EDNRAMAPTLMNATP53
SCHEMBL20429730 0.68 SMN1; SMN2 (0.46) SMN1; SMN2EDNRAMAPTLMNATP53
SCHEMBL22721829 0.67 MEN1 (0.58) SMN1; SMN2EDNRAMAPTLMNATP53
SCHEMBL1306039 0.65 SMN1; SMN2 (0.42) SMN1; SMN2EDNRALMNACYP1A2CYP3A4

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-2020241715-A1 POLAR GROUP-CONTAINING OLEFIN COPOLYMER 国立大学法人東京大学 2020-12-03 WO disclosed