SCHEMBL20934397

SCHEMBL20934397

CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)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
SCHEMBL20934372 1.00 DRD1 (0.33) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20934396 0.98 DRD1 (0.34) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20933134 0.97 PDK2 (0.32) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20933123 0.97 PDK2 (0.32) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20933736 0.96 DRD1 (0.32) DRD1PDK2L3MBTL1
SCHEMBL20933111 0.95 DRD1 (0.33) DRD1PDK2L3MBTL1
SCHEMBL20933112 0.95 DRD1 (0.33) DRD1PDK2L3MBTL1
SCHEMBL20934378 0.95 DRD1 (0.31) DRD1PDK2
SCHEMBL20934379 0.94 DRD1 (0.32) DRD1PDK2L3MBTL1ADORA3ALOX15
SCHEMBL20933122 0.94 PDK2 (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