Sugi Predict

Sugi Predict / Compounds / SCHEMBL22485152

SCHEMBL22485152

SCHEMBL22485152

Fc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)[C@@](c6ccc(F)cc6)(c6ccc(Oc8ccc9c(c8)CC9)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.35
▸ SCN9A Q15858 9/20 0.33
▸ FFAR1 O14842 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ADORA1 P30542 1/20 0.31
▸ NR3C1 P04150 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
SCHEMBL21895048 1.00 PDK2 (0.35) PDK2SCN9AFFAR1BCL2L1MCL1
SCHEMBL23713891 0.98 PDK2 (0.35) PDK2SCN9AFFAR1BCL2L1MCL1
SCHEMBL21895005 0.95 PDK2 (0.36) PDK2HRH3ADORA1
SCHEMBL21895008 0.94 PDK2 (0.35) PDK2HRH3ADORA1
SCHEMBL21895009 0.94 PDK2 (0.35) PDK2HRH3ADORA1
SCHEMBL21793638 0.94 PDK2 (0.37) PDK2HRH3ADORA1
SCHEMBL24336278 0.94 PDK2 (0.33) PDK2SCN9AFFAR1
SCHEMBL24336424 0.94 PDK2 (0.38) PDK2FFAR1
SCHEMBL24336757 0.94 PDK2 (0.33) PDK2HRH3
SCHEMBL24336555 0.93 PDK2 (0.31) PDK2ADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377570-B2 Ink composition for organic light emitting device LG CHEM, LTD. 2022-07-05 — — US disclosed
US-20200308435-A1 Ink Composition for Organic Light Emitting Device LG CHEM, LTD. (KR) 2020-10-01 — — US disclosed
Send feedback