SCHEMBL28394541

SCHEMBL28394541

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.35
▸ ADORA2A P29274 8/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ ALOX15 P16050 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MMP9 P14780 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CASP1 P29466 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ BLM P54132 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32

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 0.92 ADORA2B (0.38) ADORA2BADORA2AALDH1A1TSHRBRD4
SCHEMBL2670126 0.92 ALDH1A1 (0.39) ADORA2BADORA2AALDH1A1TSHRBRD4
SCHEMBL5560844 0.92 ALDH1A1 (0.37) ADORA2BADORA2AALDH1A1TSHRHSD17B10
SCHEMBL20211769 0.90 TSHR (0.36) ADORA2BADORA2AALDH1A1TSHRHSD17B10
SCHEMBL19810212 0.90 ALDH1A1 (0.38) ADORA2BADORA2AALDH1A1TSHRHSD17B10
SCHEMBL28391210 0.90 PRNP (0.36) ADORA2BADORA2AALDH1A1TSHRHSD17B10
SCHEMBL28888591 0.90 PSD (0.38) ADORA2BADORA2AALDH1A1TSHRHSD17B10
SCHEMBL19810320 0.90 LTB4R (0.36) ADORA2BADORA2AALDH1A1TSHRHSD17B10
SCHEMBL25781925 0.89 ADORA2B (0.35) ADORA2BADORA2AALDH1A1TSHRBRD4
SCHEMBL28385399 0.88 ALDH1A1 (0.36) ADORA2BADORA2AALDH1A1TSHRBRD4

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 3 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 claimed
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
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