Sugi Predict

Sugi Predict / Compounds / SCHEMBL25884630

SCHEMBL25884630

SCHEMBL25884630

c1ccc(-c2ccc(N(c3ccc(-c4cc5sc6ccccc6c5c5ccccc45)cc3)c3cccc(-c4cccc5sc6ccccc6c45)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.34
▸ F9 P00740 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CHEK1 O14757 1/20 0.32
▸ WEE1 P30291 1/20 0.32
▸ APP P05067 1/20 0.32
▸ SLC9A1 P19634 1/20 0.31
▸ BRDT Q58F21 1/20 0.31
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 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
SCHEMBL24472159 0.92 F9 (0.37) LIMK1F9ALOX5CHEK1WEE1
SCHEMBL25880596 0.91 MCL1 (0.38) F9ALOX5SLC9A1CDK4CCND1
SCHEMBL17660165 0.90 ALOX5 (0.36) LIMK1F9ALOX5CHEK1WEE1
SCHEMBL24472156 0.90 F9 (0.38) LIMK1F9ALOX5CHEK1WEE1
SCHEMBL25880363 0.90 CHEK1 (0.36) F9ALOX5CHEK1WEE1APP
SCHEMBL25881154 0.90 CHEK1 (0.36) F9ALOX5CHEK1WEE1APP
SCHEMBL25903330 0.89 GPR3 (0.37) F9ALOX5CHEK1WEE1APP
SCHEMBL23224776 0.88 MCL1 (0.39) LIMK1F9ALOX5SLC9A1
SCHEMBL24472333 0.88 LIMK1 (0.34) LIMK1F9ALOX5APPSLC9A1
SCHEMBL24472529 0.88 LIMK1 (0.34) LIMK1F9ALOX5APPSLC9A1

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
Send feedback