SCHEMBL4732492

SCHEMBL4732492

NNC(=O)c1ccc(-c2ccccc2)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HTT P42858 2/20 0.52
EIF4E P06730 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.46
C1S P09871 1/20 0.46

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
SCHEMBL3341157 0.79 NPC1 (0.53) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14551142 0.76 MAPT (0.73) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL6646512 0.74 MAPT (0.55) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12796868 0.74 EIF4E (0.61) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4795299 0.72 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3342093 0.72 MAPT (0.72) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL876387 0.71 RAB9A (0.58) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4732495 0.70 MAPT (0.56) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8525187 0.69 POLB (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3337680 0.69 CA12 (0.62) MAPTALDH1A1MEN1KMT2ACYP1A2

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-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed