SCHEMBL28545346

SCHEMBL28545346

c1ccc2[nH]c(CN(Cc3cc4ccccc4[nH]3)Cc3cc4ccccc4[nH]3)cc2c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HRH3 Q9Y5N1 1/20 0.49
AHR P35869 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
AOC3 Q16853 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46

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
SCHEMBL8574842 0.89 LOXL2 (0.55) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL4728647 0.84 LOXL2 (0.58) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL29750394 0.84 LOXL2 (0.58) LOXL2HDAC3HDAC1HDAC2HDAC8
SCHEMBL2385292 0.81 LOXL2 (0.64) LOXL2HRH3AHRHRH4AOC3
SCHEMBL401081 0.80 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL29403791 0.80 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL28338445 0.80 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL31059889 0.80 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL7169246 0.80 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL28335219 0.78 LOXL2 (0.67) LOXL2HRH3AHRAOC3MTNR1A

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-112521373-B Multi-modal probe and preparation method and application thereof 南京大学 2022-02-11 CN disclosed
CN-112521373-A Multi-modal probe and preparation method and application thereof 南京大学 2021-03-19 CN disclosed