SCHEMBL29122350

SCHEMBL29122350

O=C(O)N1CCC(n2nc(CO)c3cc(Br)ccc32)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.37
▸ TEAD4 Q15561 1/20 0.37
▸ TEAD2 Q15562 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ CNR1 P21554 4/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ BTK Q06187 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ KDM5A P29375 1/20 0.33
▸ L3MBTL3 Q96JM7 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KRAS P01116 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL4 Q8NA19 1/20 0.33
▸ PKM P14618 1/20 0.32

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
SCHEMBL29122348 1.00 TEAD1 (0.37) TEAD1TEAD4TEAD2PTGDR2CNR1
SCHEMBL29121565 0.85 BTK (0.45) CNR1EGFRBTKFPR2KRAS
SCHEMBL29121569 0.85 BTK (0.45) CNR1EGFRBTKFPR2KRAS
SCHEMBL30676570 0.85 BTK (0.45) CNR1EGFRBTKFPR2KRAS
SCHEMBL30676388 0.85 BTK (0.45) CNR1EGFRBTKFPR2KRAS
SCHEMBL29121705 0.85 BTK (0.45) CNR1EGFRBTKFPR2KRAS
SCHEMBL29122382 0.82 TEAD1 (0.40) TEAD1TEAD4TEAD2PTGDR2CNR1
SCHEMBL29122614 0.80 POLB (0.35) CNR1BTKFPR2L3MBTL3L3MBTL1
SCHEMBL29121918 0.80 TEAD1 (0.38) TEAD1TEAD4TEAD2CNR1KDM5A
SCHEMBL29121743 0.80 TEAD1 (0.38) TEAD1TEAD4TEAD2KDM5APOLB

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
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
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