SCHEMBL23554142

SCHEMBL23554142

CC(C)(C)OC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cc[n+](O)cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.38
UCHL1 P09936 2/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRB P23467 1/20 0.37
USP30 Q70CQ3 3/20 0.37
CFTR P13569 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
LTA4H P09960 1/20 0.35
GRM1 Q13255 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
SCHEMBL23672551 0.92 IDE (0.39) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL30299319 0.92 IDE (0.39) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL23554141 0.91 UCHL1 (0.37) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL23554241 0.90 GRM1 (0.45) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL30299297 0.85 ALDH1A1 (0.42) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL23539332 0.85 ALDH1A1 (0.42) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL30299326 0.84 UCHL1 (0.43) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL23554133 0.84 UCHL1 (0.43) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL23554281 0.83 KDM4E (0.40) GSTO1UCHL1KDM4EMEN1KMT2A
SCHEMBL23553654 0.82 MEN1 (0.44) UCHL1MEN1KMT2AALDH1A1USP30

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