SCHEMBL28949786

SCHEMBL28949786

Nc1ccc(-c2cn(-c3ccc(O)cc3)nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.61
HSD17B2 P37059 2/20 0.61
MIF P14174 7/20 0.58
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA5A P35218 5/20 0.55
CA5B Q9Y2D0 5/20 0.55
MAPT P10636 1/20 0.53
SNCA P37840 1/20 0.53
PTGS2 P35354 6/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
FLT3 P36888 2/20 0.49
GSK3B P49841 1/20 0.49
P2RY14 Q15391 1/20 0.47
PTGS1 P23219 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
SCHEMBL14152110 0.92 HSD17B1 (0.71) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL18031103 0.84 FLT3 (0.69) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL18031100 0.84 PTGS2 (0.63) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL23557718 0.84 PTGS2 (0.63) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL3758635 0.83 CA2 (0.66) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL23086229 0.83 HSD17B1 (0.74) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL11904306 0.83 CA1 (0.57) HSD17B1HSD17B2CA1CA2CA5A
SCHEMBL12599087 0.83 HSD17B1 (0.74) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL18031104 0.83 ESRRA (0.60) HSD17B1HSD17B2MIFCA1CA2
SCHEMBL9608256 0.82 P2RY14 (0.61) CA1CA2CA5ACA5BPTGS2

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
WO-2025048243-A1 NOVEL ISOXAZOLE COMPOUND AS TM4SF5-SPECIFIC INHIBITOR AND USE THEREOF 서울대학교산학협력단 2025-03-06 WO disclosed
CN-110437220-B Triazole compound and application thereof 暨南大学 2022-12-27 CN disclosed