SCHEMBL24400223

SCHEMBL24400223

O=C(I)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.43
NOTUM Q6P988 3/20 0.42
KDR P35968 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
KIF11 P52732 1/20 0.40
RAPGEF3 O95398 2/20 0.40
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.39
FOXO1 Q12778 1/20 0.39
PDK1 Q15118 1/20 0.38
SCN9A Q15858 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
RARA P10276 1/20 0.38

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
SCHEMBL29624981 0.85 TSHR (0.59) KMONOTUMKDRMRGPRX4TSHR
SCHEMBL10532934 0.85 KMO (0.43) KMONOTUMKDRMRGPRX4CYP1A2
SCHEMBL1920001 0.85 TSHR (0.59) KMONOTUMKDRMRGPRX4TSHR
SCHEMBL9526608 0.85 NOTUM (0.46) KMONOTUMKDRMRGPRX4CYP1A2
SCHEMBL30255650 0.85 NOTUM (0.46) KMONOTUMKDRMRGPRX4CYP1A2
SCHEMBL313146 0.83 KIF11 (0.54) KMONOTUMKDRMRGPRX4CYP1A2
SCHEMBL4294249 0.83 HSD11B1 (0.45) KMONOTUMKDRMRGPRX4RAB9A
Hydrochloric Acid SCHEMBL30536936 0.81 HSD11B1 (0.44) KMONOTUMKDRMRGPRX4RAB9A
SCHEMBL23112384 0.79 GSK3B (0.54) KMONOTUMMRGPRX4
SCHEMBL24959794 0.79 NOTUM (0.42) KMONOTUMKDRMRGPRX4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108090-A1 METHODS OF TREATING INFLAMMATORY CONDITIONS ATHIRA PHARMA, INC. (US) 2024-05-23 WO disclosed
WO-2023215377-A1 METHODS OF TREATING NEUROINFLAMMATORY CONDITIONS ATHIRA PHARMA, INC. (US) 2023-11-09 WO disclosed
WO-2023215378-A1 METHODS OF TREATING FIBROSIS ATHIRA PHARMA, INC. (US) 2023-11-09 WO disclosed
WO-2023215376-A1 METHODS OF TREATING NEUROPATHIES ATHIRA PHARMA, INC. (US) 2023-11-09 WO disclosed
WO-2023163971-A1 METHODS OF TREATING COVID-RELATED DISORDERS ATHIRA PHARMA, INC. (US) 2023-08-31 WO disclosed
WO-2023114456-A1 USES OF BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASES ATHIRA PHARMA, INC. (US) 2023-06-22 WO disclosed
WO-2022094400-A1 BICYCLIC COMPOUNDS AND USES THEREOF FOR THE TREATMENT OF DISEASES ATHIRA PHARMA, INC. (US) 2022-05-05 WO disclosed