SCHEMBL23554141

SCHEMBL23554141

CO[n+]1ccc(-c2csc(N(C(=O)OC(C)(C)C)c3cccc(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 2/20 0.37
GSTO1 P78417 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRB P23467 1/20 0.36
USP30 Q70CQ3 2/20 0.36
KCNQ1 P51787 1/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
CFTR P13569 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL23554142 0.91 GSTO1 (0.38) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL30299319 0.90 IDE (0.39) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL23672551 0.90 IDE (0.39) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL23554241 0.88 GRM1 (0.45) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL30299297 0.84 ALDH1A1 (0.42) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL23539332 0.84 ALDH1A1 (0.42) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL30299326 0.83 UCHL1 (0.43) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL23554133 0.83 UCHL1 (0.43) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL23554114 0.82 MAPT (0.42) UCHL1GSTO1KDM4EALDH1A1MEN1
SCHEMBL23554281 0.81 KDM4E (0.40) UCHL1GSTO1KDM4EALDH1A1MEN1

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-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed