SCHEMBL22914933

SCHEMBL22914933

Cc1ccc(N=[N+]=[N-])cc1NC(=O)c1cn(-c2ccc(F)c(O)c2)nn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
DDT P30046 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.41
MIF P14174 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
WDR5 P61964 5/20 0.35
TP53 P04637 1/20 0.35
NOTUM Q6P988 2/20 0.35
HTT P42858 1/20 0.35
DDX3X O00571 1/20 0.34

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
SCHEMBL29709845 0.85 DDT (0.50) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL22914919 0.85 DDT (0.50) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL22914946 0.82 NPC1 (0.48) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL22914921 0.77 MAPT (0.51) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL29709874 0.77 MAPT (0.51) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL29709841 0.76 DDT (0.53) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL22914936 0.76 DDT (0.53) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL22914925 0.74 DDT (0.49) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL22914923 0.74 MAPT (0.47) APPDDTNPC1RAB9ASMN1; SMN2
SCHEMBL29709834 0.74 MAPT (0.47) APPDDTNPC1RAB9ASMN1; SMN2

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