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SCHEMBL20933733

SCHEMBL20933733

CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL20933736 0.98 DRD1 (0.32) DRD1PDK2L3MBTL1
SCHEMBL20933594 0.98 DRD1 (0.32) DRD1PDK2L3MBTL1
SCHEMBL20934496 0.97 PDK2 (0.32) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20934396 0.95 DRD1 (0.34) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20933595 0.95 DRD1 (0.30) DRD1
SCHEMBL20934379 0.94 DRD1 (0.32) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20934428 0.94 PDK2 (0.31) PDK2L3MBTL1ADORA3ALOX15TSHR
SCHEMBL20934426 0.94 PDK2 (0.31) PDK2L3MBTL1ADORA3ALOX15TSHR
SCHEMBL20933599 0.94 — —
SCHEMBL20934397 0.93 DRD1 (0.33) DRD1PDK2L3MBTL1ADORA3ALOX15

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
WO-2019078461-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 — — WO disclosed