SCHEMBL28466994

SCHEMBL28466994

OCC1(CO)OB(c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)OC1(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ NOX4 Q9NPH5 1/20 0.34
▸ MAPT P10636 2/20 0.33

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
SCHEMBL17529962 0.81 LPL (0.47) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL28469295 0.81 LIPG (0.47) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL20995943 0.78 LIPG (0.53) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL38659382 0.78 LIPG (0.53) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL20995888 0.78 LIPG (0.53) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL22113569 0.77 LPL (0.50) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL31643515 0.74 LIPG (0.44) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL20995955 0.74 LIPG (0.44) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL29519190 0.74 LIPG (0.44) TSHRALOX15ADORA3ADORA2AADORA2B
SCHEMBL27454216 0.74 LIPG (0.44) TSHRALOX15ADORA3ADORA2AADORA2B

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-111344288-A Novel heterocyclic compound and organic light emitting device using the same 株式会社LG化学 2020-06-26 — — CN disclosed
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