SCHEMBL29585366

SCHEMBL29585366

NCc1ncc(F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
AGBL2 Q5U5Z8 2/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
CACNA1H O95180 1/20 0.34
LOX P28300 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
POLQ O75417 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL24424327 1.00 IDO1 (0.36) IDO1AGBL2LOXL2CACNA1HLOX
SCHEMBL22016207 0.81 AGBL2 (0.39) IDO1AGBL2POLQHDAC3HDAC1
SCHEMBL16823599 0.79 L3MBTL1 (0.38) IDO1LOXL2CACNA1HLOXPRMT5
SCHEMBL2067677 0.79 HTT (0.35) IDO1LOXL2CACNA1HLOXPRMT5
SCHEMBL2084699 0.79 AGBL2 (0.36) AGBL2LOXL2CACNA1HLOXPRMT5
Hydrochloric Acid SCHEMBL16165952 0.78 L3MBTL1 (0.38) IDO1LOXL2CACNA1HLOXPRMT5
SCHEMBL357848 0.75 AGBL2 (0.39) AGBL2LOXL2PRMT5WDR77
SCHEMBL24424273 0.75 CYP11B1 (0.39) CACNA1H
SCHEMBL14333743 0.74 CYP11B2 (0.52)
SCHEMBL21859472 0.74 AR (0.35) AGBL2POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 EP disclosed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed