SCHEMBL28888591

SCHEMBL28888591

O=c1c(Cc2ccco2)nc2c(Cc3ccccc3)[nH]c(-c3ccc(Cl)cc3)cn1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSD A5PKW4 3/20 0.38
▸ ALKBH3 Q96Q83 1/20 0.37
▸ ADORA2A P29274 5/20 0.36
▸ ADORA2B P29275 5/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ NPSR1 Q6W5P4 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ POLB P06746 3/20 0.35
▸ PKM P14618 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL19810310 0.93 ADORA2B (0.38) ALKBH3ADORA2AADORA2BKMT2AALDH1A1
SCHEMBL2670126 0.93 ALDH1A1 (0.39) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL19810212 0.91 ALDH1A1 (0.38) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL5560844 0.91 ALDH1A1 (0.37) ADORA2AADORA2BKMT2AALDH1A1NPSR1
SCHEMBL28391210 0.91 PRNP (0.36) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL19810320 0.91 LTB4R (0.36) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL28394541 0.90 ADORA2B (0.35) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL25781925 0.90 ADORA2B (0.35) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL20211769 0.89 TSHR (0.36) ADORA2AADORA2BKMT2AALDH1A1MEN1
SCHEMBL21751352 0.88 BRAF (0.34) ADORA2AADORA2BKMT2AALDH1A1MEN1

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-111116594-B C-6 modified NanoLuc analogue and preparation method and application thereof 山东大学 2021-05-28 — — CN disclosed
CN-111116594-A C-6 modified NanoLuc analogue and preparation method and application thereof 山东大学 2020-05-08 — — CN disclosed
Send feedback