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SCHEMBL20933308

SCHEMBL20933308

CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)Oc5ccc7c(c5O6)-c5ccccc5C7(C)C)cc4)n3)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ BACE1 P56817 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CTSD P07339 1/20 0.30

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
SCHEMBL20933981 0.98 ADORA2A (0.32) PDK2ADORA2AADORA1BACE1MEN1
SCHEMBL20934112 0.98 ADORA2A (0.32) PDK2ADORA2AADORA1BACE1MEN1
SCHEMBL20933963 0.97 PDK2 (0.31) PDK2ADORA2AADORA1
SCHEMBL20933552 0.97 PDK2 (0.31) PDK2ADORA2AADORA1
SCHEMBL20933280 0.95 PDK2 (0.33) PDK2ADORA2AADORA1BACE1MEN1
SCHEMBL20933976 0.95 ADORA2A (0.32) ADORA2AADORA1BACE1MEN1ALDH1A1
SCHEMBL20934117 0.95 ADORA2A (0.32) ADORA2AADORA1BACE1MEN1ALDH1A1
SCHEMBL20934090 0.95 ADORA2A (0.32) ADORA2AADORA1BACE1MEN1ALDH1A1
SCHEMBL20933117 0.95 USP2 (0.32) ADORA2AADORA1MEN1ALDH1A1MAPT
SCHEMBL20934113 0.95 ADORA2A (0.32) ADORA2AADORA1BACE1MEN1ALDH1A1

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