SCHEMBL24662647

SCHEMBL24662647

Cn1cnnc1C1(c2cccc(NC(=O)OC(C)(C)C)c2)CC(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 9/20 0.49
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ CBL P22681 5/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ GRM5 P41594 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 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
SCHEMBL31578412 0.87 CBLB (0.63) CBLBHCRTR1HCRTR2CBL
SCHEMBL31115401 0.87 CBLB (0.63) CBLBHCRTR1HCRTR2CBL
SCHEMBL27273961 0.82 CBLB (0.53) CBLBHCRTR1HCRTR2
SCHEMBL29866714 0.77 HCRTR1 (0.44) CBLBHCRTR1HCRTR2BRD4CYP17A1
SCHEMBL22528071 0.75 CBLB (0.43) CBLBHCRTR1HCRTR2BRD4CYP17A1
SCHEMBL29536246 0.75 CBLB (0.66) CBLBHCRTR1HCRTR2CBL
SCHEMBL24662527 0.74 CBLB (0.63) CBLBHCRTR1HCRTR2
SCHEMBL24661075 0.74 CBLB (0.44) CBLBCBL
SCHEMBL27273942 0.73 HCRTR1 (0.50) HCRTR1HCRTR2BRD4CYP17A1CYP3A4
SCHEMBL24662646 0.73 CBLB (0.41) CBLBCBL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 — — WO disclosed
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