SCHEMBL29920114

SCHEMBL29920114

FC(F)(F)c1cncc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
SLC22A12 Q96S37 2/20 0.41
POLB P06746 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HDAC4 P56524 1/20 0.36
DAO P14920 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL185547 1.00 CYP11B1 (0.49) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL29207918 0.84 KDM4E (0.40) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL24534060 0.82 CYP11B1 (0.42) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL3507833 0.82 CYP11B1 (0.42) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL3749196 0.82 CYP11B1 (0.43) CYP11B1CYP11B2SLC22A12CYP3A4CYP2C9
SCHEMBL30964464 0.79 CYP11B1 (0.40) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL15463724 0.79 NR1H2 (0.40) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL24533960 0.77 CYP11B1 (0.39) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL2732538 0.76 CYP1A2 (0.39) CYP11B1CYP11B2SLC22A12POLBHCAR2
SCHEMBL5160 0.76 CYP11B1 (0.61) CYP11B1CYP11B2S1PR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024165050-A1 PROTEOLYSIS-TARGETING CHIMERA (PROTAC) COMPOUNDS AND USES THEREOF FIELD AUBRAK THERAPEUTICS (CN) 2024-08-15 WO disclosed
CN-117751115-A Compounds, compositions, and methods of treating cancer 热点治疗公司 2024-03-22 CN disclosed
EP-4323358-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Hotspot Therapeutics, Inc. (US) 2024-02-21 EP disclosed
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 WO disclosed