SCHEMBL22914922

SCHEMBL22914922

Cc1ccc(Cl)cc1NC(=O)c1cn(-c2cccc(C(=O)O)c2)nn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MIF P14174 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
GPR142 Q7Z601 2/20 0.45
DDT P30046 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
APP P05067 1/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL22914955 0.87 MAPT (0.52) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL22914921 0.83 MAPT (0.51) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL29709874 0.83 MAPT (0.51) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL29709841 0.81 DDT (0.53) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL22914936 0.81 DDT (0.53) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL29709818 0.81 MAPT (0.51) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL22914926 0.81 MAPT (0.51) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL29709845 0.80 DDT (0.50) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL22914919 0.80 DDT (0.50) MAPTMIFSMN1; SMN2GAADDT
SCHEMBL22914925 0.79 DDT (0.49) MAPTMIFSMN1; SMN2GAADDT

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-2021016594-A1 SECOND GENERATION INHIBITORS OF MITOCHONDRIAL PERMEABILITY TRANSITION PORE WITH IMPROVED PLASMA STABILITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-01-28 WO disclosed