SCHEMBL29552245

SCHEMBL29552245

N#CCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIEZO1 Q92508 1/20 0.41
CSNK2A1 P68400 3/20 0.37
IDO1 P14902 2/20 0.37
KIF11 P52732 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
POLQ O75417 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
CTSS P25774 1/20 0.33
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7886912 1.00 PIEZO1 (0.41) PIEZO1CSNK2A1IDO1KIF11CYP3A4
SCHEMBL669965 0.86 RXRA (0.38) CSNK2A1IDO1KIF11RXRARXRB
SCHEMBL1758523 0.82 IDO1 (0.40) PIEZO1IDO1CYP3A4CYP2D6TAS2R14
SCHEMBL24147012 0.80 CES2 (0.42) PIEZO1IDO1KIF11CYP3A4CYP2D6
SCHEMBL29492592 0.80 IDO1 (0.53) IDO1KIF11RXRARXRBRXRG
SCHEMBL952712 0.80 IDO1 (0.53) IDO1KIF11RXRARXRBRXRG
SCHEMBL194432 0.79 CSNK2A1 (0.38) CSNK2A1
SCHEMBL18602316 0.79 IDO1 (0.40) IDO1KIF11RXRARXRBRXRG
SCHEMBL3827787 0.79 IDO1 (0.37) IDO1KIF11CYP3A4CYP2D6RXRA
SCHEMBL24146760 0.79 AR (0.44) IDO1KIF11CYP2D6SLC6A4TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025104443-A1 INHIBITORY COMPOUNDS STORM THERAPEUTICS LTD (GB) 2025-05-22 WO disclosed
EP-4330236-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2024-03-06 EP disclosed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP disclosed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN disclosed
WO-2022232632-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-11-03 WO disclosed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO disclosed