SCHEMBL30212912

SCHEMBL30212912

CC(=O)/C(=N\O)C(=O)Nc1ccc2nc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 9/20 0.56
POLB P06746 1/20 0.52
NAMPT P43490 1/20 0.51
P2RY14 Q15391 4/20 0.50
RAB9A P51151 3/20 0.50
EPHX1 P07099 2/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 1/20 0.47
P2RY6 Q15077 1/20 0.47

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
SCHEMBL24028037 1.00 QPCT (0.56) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL11580425 0.81 QPCT (0.63) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL24819770 0.80 QPCT (0.56) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL5265936 0.76 NAMPT (0.66) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL9059907 0.76 NAMPT (0.66) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL21774243 0.75 QPCT (0.63) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL30050799 0.73 QPCT (0.75) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL12082836 0.71 RAB9A (0.73) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL24821503 0.70 QPCT (0.60) QPCTPOLBNAMPTP2RY14RAB9A
SCHEMBL30050990 0.70 QPCT (0.60) QPCTPOLBNAMPTP2RY14RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149928-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2023-03-22 EP disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed