SCHEMBL31045864

SCHEMBL31045864

COc1cc(C(F)(F)F)ncc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
AXL P30530 1/20 0.38
CHEK1 O14757 1/20 0.37
MAPT P10636 2/20 0.37
HCRTR1 O43613 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TRPV4 Q9HBA0 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7916902 0.85 PDE10A (0.40) PDE10AAXLCHEK1MAPTHCRTR1
SCHEMBL17711404 0.83 PDE10A (0.36) PDE10AAXLMAPTHCRTR1ALDH1A1
SCHEMBL30778487 0.81 LRRK2 (0.36) TRPV4PTGS1PTGS2TSHRCA2
SCHEMBL14183066 0.79 PDE10A (0.40) PDE10ACHEK1HCRTR1TRPV4ALDH1A1
SCHEMBL30778502 0.79 RXRA (0.33) L3MBTL1TRPV4CA2CHKA
SCHEMBL30358920 0.78 PDE10A (0.40) PDE10ACHEK1HCRTR1KDM4EHPGD
SCHEMBL29192556 0.78 PDE10A (0.40) PDE10ACHEK1HCRTR1KDM4EHPGD
SCHEMBL16213734 0.76 AXL (0.42) PDE10AAXLMAPTNPSR1L3MBTL1
SCHEMBL31057600 0.76 AXL (0.42) PDE10AAXLMAPTNPSR1L3MBTL1
SCHEMBL22161741 0.76 PDE10A (0.40) PDE10ACHEK1HCRTR1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680336-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2026-01-21 EP disclosed
WO-2024196788-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-09-26 WO disclosed