Sugi Predict

Sugi Predict / Compounds / SCHEMBL25791561

SCHEMBL25791561

SCHEMBL25791561

CC1(C)c2cc(-c3cc4c5ccccc5c(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4c4ccccc34)ccc2-c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc21

nearest known ligand 0.30

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 1/20 0.30
▸ CHRNG P07510 1/20 0.30
▸ CHRNB1 P11230 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ CHRND Q07001 1/20 0.30
▸ SIGMAR1 Q99720 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
SCHEMBL25791518 0.91 MCL1 (0.31) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL25791407 0.90 PDK2 (0.33) SIGMAR1
SCHEMBL16366111 0.90 PDK2 (0.35) SLC6A2SLC6A4SIGMAR1
SCHEMBL17153701 0.90 PDK2 (0.35) SLC6A2SLC6A4SIGMAR1
SCHEMBL10034326 0.89 CYP11B1 (0.33) SIGMAR1
SCHEMBL25791484 0.89 GSTP1 (0.32) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL16366517 0.89 PDK2 (0.33) SIGMAR1
SCHEMBL17153719 0.89 PDK2 (0.34) SIGMAR1
SCHEMBL17153640 0.89 PDK2 (0.34) SIGMAR1
SCHEMBL16366514 0.89 PDK2 (0.35) SLC6A2SLC6A4SIGMAR1

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
US-20230212334-A1 POLYMER, ELECTROLUMINESCENCE MATERIAL, ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-07-06 — — US disclosed
Send feedback