SCHEMBL20699481

SCHEMBL20699481

CC(C)(C)c1ccccc1NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
ALOX12 P18054 2/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 3/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
BACE1 P56817 1/20 0.46
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.43
ADRA2C P18825 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41

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
SCHEMBL6238405 0.84 POLB (0.64) THRBALOX12POLBGAAHSD17B10
SCHEMBL11054600 0.81 HSD17B10 (0.53) THRBALOX12POLBGAAHSD17B10
SCHEMBL30464743 0.79 HSD17B10 (0.71) THRBALOX12POLBGAAHSD17B10
SCHEMBL4571036 0.79 HSD17B10 (0.71) THRBALOX12POLBGAAHSD17B10
SCHEMBL13159633 0.78 POLB (0.45) THRBALOX12POLBGAAHSD17B10
SCHEMBL1425158 0.75 P2RY1 (0.59)
SCHEMBL18415572 0.75 THRB (0.67) THRBALOX12POLBGAAKDM4E
SCHEMBL13159623 0.74 IDO1 (0.44) THRBALOX12POLBGAATSHR
SCHEMBL11741197 0.74 HDAC8 (0.50)
SCHEMBL28557887 0.74 ALDH1A1 (0.50) THRBALOX12POLBGAAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833493-B2 Metal catalyst, method of C-N coupling using the same and applications of the same BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2023-12-05 US disclosed
US-20220297101-A1 METAL CATALYST, METHOD OF C-N COUPLING USING THE SAME AND APPLICATIONS OF THE SAME BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2022-09-22 US disclosed
US-11376576-B2 Metal catalyst, method of C—N coupling using the same and applications of the same BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2022-07-05 US disclosed
US-20210129123-A1 METAL CATALYST, METHOD OF C-N COUPLING USING THE SAME AND APPLICATIONS OF THE SAME BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2021-05-06 US disclosed
US-20190039057-A1 METAL CATALYST, METHOD OF C-N COUPLING USING THE SAME AND APPLICATIONS OF THE SAME BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS 2019-02-07 US disclosed