SCHEMBL30949366

SCHEMBL30949366

CCOC(=O)c1nnc(-c2ccc(-c3ccc(Cl)cc3)cc2)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
HSD17B10 Q99714 3/20 0.60
TARBP2 Q15633 1/20 0.60
SMPD1 P17405 1/20 0.58
MAPT P10636 5/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
KMT2A Q03164 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 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
SCHEMBL165878 0.99 POLB (0.76) POLBCA1CA2HSD17B10TARBP2
SCHEMBL326764 0.87 CA1 (0.71) POLBCA1CA2HSD17B10TARBP2
SCHEMBL31049616 0.84 CA1 (0.68) POLBCA1CA2HSD17B10TARBP2
SCHEMBL28501879 0.84 CA1 (0.68) POLBCA1CA2HSD17B10TARBP2
SCHEMBL163935 0.84 CA1 (0.68) POLBCA1CA2HSD17B10TARBP2
SCHEMBL7865590 0.84 CA1 (0.72) POLBCA1CA2HSD17B10TARBP2
SCHEMBL167291 0.84 CA1 (0.68) POLBCA1CA2HSD17B10TARBP2
SCHEMBL114885 0.84 CA1 (0.67) POLBCA1CA2HSD17B10TARBP2
SCHEMBL166289 0.84 POLB (0.67) POLBCA1CA2HSD17B10SMPD1
SCHEMBL11485622 0.83 CA1 (0.67) POLBCA1CA2HSD17B10TARBP2

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
CN-111072582-B N-hydroxy aromatic heterocycle-2-formamide compound and preparation method and application thereof 中国药科大学 2024-06-18 CN disclosed