Sugi Predict

Sugi Predict / Compounds / SCHEMBL22706972

SCHEMBL22706972

SCHEMBL22706972

c1ccc(-c2c3cccc(-c4ccc(-c5cccc6c5Sc5ccccc5S6)c5ccccc45)c3cc3c(-c4ccc(-c5cccc6c5Sc5ccccc5S6)c5ccccc45)cccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.51
▸ ATM Q13315 2/20 0.36
▸ PRKDC P78527 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ THRA P10827 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ ENPP1 P22413 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
SCHEMBL16167070 0.87 ALOX5 (0.45) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL16558478 0.81 ACHE (0.33) ALOX5ESR1ESR2ACHE
SCHEMBL22708018 0.80 ALOX5 (0.33) ALOX5ATM
SCHEMBL22706138 0.79 GPR84 (0.31) ALOX5PRKDC
SCHEMBL16164512 0.78 ALOX5 (0.51) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL22707574 0.77 ATM (0.31) ALOX5ATM
SCHEMBL10985315 0.76 ALOX5 (0.53) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL3078569 0.76 ALOX5 (0.66) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL30320186 0.76 ALOX5 (0.66) ALOX5ATMPRKDCPIK3CAPIK3CB
SCHEMBL12488874 0.75 ALOX5 (0.47) ALOX5ATMPRKDCPIK3CAPIK3CB

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed