SCHEMBL28840291

SCHEMBL28840291

c1ccc2[nH]c(CCc3c[nH]nn3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
AHR P35869 2/20 0.42
CHRNA7 P36544 2/20 0.41
HRH4 Q9H3N8 1/20 0.38
GUSB P08236 1/20 0.38

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
Ethylamine SCHEMBL7808639 0.80 LOXL2 (0.50) LOXL2MTNR1AMTNR1BAHRHRH4
SCHEMBL7169246 0.80 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL31059889 0.80 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
Sulfuric Acid SCHEMBL8528614 0.74 LOXL2 (0.43) LOXL2MTNR1AMTNR1BAHRGUSB
SCHEMBL28335219 0.74 LOXL2 (0.67) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL29012585 0.74 LOXL2 (0.49) LOXL2HRH3MTNR1AMTNR1BCHRNA7
SCHEMBL7740332 0.73 AKR1B1 (0.38) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL6860219 0.73 LOXL2 (0.64) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL401081 0.72 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR
SCHEMBL29403791 0.72 LOXL2 (0.69) LOXL2HRH3MTNR1AMTNR1BAHR

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-110452225-B Triazole ethyl isatin derivative and preparation method and application thereof 西南大学 2022-09-09 CN claimed