SCHEMBL23554114

SCHEMBL23554114

CC(C)(C)OC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(-c2cccc(NC=O)c2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MAPK1 P28482 2/20 0.42
PTPRB P23467 1/20 0.41
UCHL1 P09936 1/20 0.41
CFTR P13569 2/20 0.41
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
USP30 Q70CQ3 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
GSTO1 P78417 1/20 0.38
SIRT5 Q9NXA8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL30299290 0.88 MAPT (0.45) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL23539332 0.85 ALDH1A1 (0.42) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL30299297 0.85 ALDH1A1 (0.42) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL30299326 0.84 UCHL1 (0.43) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL23554133 0.84 UCHL1 (0.43) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL23554241 0.84 GRM1 (0.45) MAPTMAPK1PTPRBUCHL1KDM4E
SCHEMBL23553756 0.83 HDAC3 (0.42) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL23553654 0.82 MEN1 (0.44) MAPTUCHL1MEN1ALDH1A1KMT2A
SCHEMBL23554141 0.82 UCHL1 (0.37) MAPTMAPK1PTPRBUCHL1CFTR
SCHEMBL23554142 0.81 GSTO1 (0.38) MAPTMAPK1PTPRBUCHL1CFTR

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