SCHEMBL23874282

SCHEMBL23874282

C=NNC(=N)N/N=C/c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
AGTR1 P30556 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
XBP1 P17861 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
GAA P10253 3/20 0.43
CA1 P00915 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
Robenidine SCHEMBL571509 0.91 SMN1; SMN2 (0.53) MAPTALDH1A1KDM4EAGTR1L3MBTL1
Robenidine SCHEMBL6729906 0.91 SMN1; SMN2 (0.53) MAPTALDH1A1KDM4EAGTR1L3MBTL1
Robenidine SCHEMBL3851893 0.90 SMN1; SMN2 (0.51) MAPTALDH1A1KDM4EAGTR1L3MBTL1
Robenidine SCHEMBL11769699 0.90 SMN1; SMN2 (0.51) MAPTALDH1A1KDM4EAGTR1L3MBTL1
SCHEMBL19449644 0.87 LMNA (0.58) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL17560983 0.85 LMNA (0.56) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL16224325 0.83 SMN1; SMN2 (0.54) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL11233329 0.83 MEN1 (0.57) MAPTALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11233334 0.83 MEN1 (0.57) MAPTALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL23137364 0.83 ESRRG (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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-2021191417-A1 COMPOUNDS FOR USE IN THE TREATMENT OF SYNUCLEINOPATHIES SOM INNOVATION BIOTECH, S.A. (ES) 2021-09-30 WO disclosed