SCHEMBL10490276

SCHEMBL10490276

O=c1cc(CCl)nc(-c2ccccc2)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
L3MBTL1 Q9Y468 3/20 0.64
KMT2A Q03164 1/20 0.64
GAA P10253 2/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.54
HIF1A Q16665 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GSK3B P49841 1/20 0.53
PDE2A O00408 1/20 0.46
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.44
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XDH P47989 1/20 0.42

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
SCHEMBL8677240 0.83 POLB (0.70) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL3988102 0.78 KMT2A (0.64) L3MBTL1KMT2AGAAMAPTHPGD
SCHEMBL18003534 0.77 POLB (0.70) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL4822785 0.75 GSK3B (0.84) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL7504407 0.74 GAA (1.00) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL14508422 0.74 MAPT (0.64) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL8677047 0.73 MAPT (0.58) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL28325219 0.73 POLB (0.64) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL29310490 0.72 GSK3B (0.79) POLBL3MBTL1KMT2AGAAMAPT
SCHEMBL21985337 0.71 MAPT (0.60) POLBL3MBTL1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4859670-A 2-Azolylmethyl-2-aryl-1,3-dioxolanes and the salts thereof, agents containing same, and the use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-22 US disclosed
EP-0237962-A2 2-Azolylmethyl-2-aryl-1,3-dioxolanes and their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-23 EP disclosed