SCHEMBL31331972

SCHEMBL31331972

O=C(O)c1cc(C(=O)O)cc(-c2n[nH]c(-c3ccccn3)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.62
KDM4E B2RXH2 2/20 0.62
ALPL P05186 1/20 0.61
PKM P14618 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
NOTUM Q6P988 1/20 0.59
F2 P00734 2/20 0.55
F12 P00748 2/20 0.55
PLAU P00749 1/20 0.55
PIN1 Q13526 1/20 0.52
KDM6B O15054 1/20 0.49
KDM4A O75164 1/20 0.49
KDM5C P41229 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM2A Q9Y2K7 1/20 0.49

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
SCHEMBL2787324 0.88 NPC1 (0.76) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL31565163 0.85 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL31565162 0.85 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL2251038 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL31565161 0.80 SMN1; SMN2 (0.82) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL17280117 0.80 SMN1; SMN2 (0.82) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL29499843 0.79 NR1H2 (0.48) NPC1RAB9ASMN1; SMN2ALPLALOX15
SCHEMBL28404844 0.79 KDM4E (0.64) L3MBTL1KDM4EPIN1KDM6BKDM4A
SCHEMBL29499848 0.79 NR1H2 (0.48) NPC1RAB9ASMN1; SMN2ALPLALOX15
SCHEMBL2789192 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E

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
CN-119264456-B Two-dimensional lanthanide metal-organic framework material and preparation method and application thereof 吉林师范大学 2025-03-18 CN disclosed
CN-119264456-A Two-dimensional lanthanide metal-organic framework material and preparation method and application thereof 吉林师范大学 2025-01-07 CN disclosed