SCHEMBL21397879

SCHEMBL21397879

O/N=C/c1cccc(/C=N/O)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
KDM4E B2RXH2 4/20 0.57
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
P2RX7 Q99572 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC2A1 P11166 1/20 0.37
CTH P32929 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX12 P18054 1/20 0.35
ACHE P22303 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
SCHEMBL11602459 1.00 RAB9A (0.57) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL14960439 0.88 RAB9A (0.52) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL30644458 0.84 KDM4E (0.49) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL1227091 0.84 CTH (0.54) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL29987412 0.84 CTH (0.51) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL22342567 0.84 CTH (0.51) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL22342539 0.84 CTH (0.51) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL22342569 0.84 CTH (0.51) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL77564 0.84 CTH (0.54) RAB9ANPC1KDM4EGAAMAPK1
SCHEMBL29987555 0.84 CTH (0.51) RAB9ANPC1KDM4EGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023049184-A9 MULTIVALENT POLYCATION INHIBITION OF POLYANIONS IN BLOOD THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-05-25 WO disclosed
WO-2023049184-A1 MULTIVALENT POLYCATION INHIBITION OF POLYANIONS IN BLOOD THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-03-30 WO disclosed
WO-2019180653-A1 COMPOSITIONS, MATERIALS, AND METHODS FOR DEACTIVATING TOXIC AGENTS INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) 2019-09-26 WO disclosed