SCHEMBL29038875

SCHEMBL29038875

Cn1c(=O)ccc2ccc(B3OCC(C)(C)O3)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 8/20 0.40
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
CA9 Q16790 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ALOX5 P09917 3/20 0.36
BRD1 O95696 1/20 0.31
BRPF3 Q9ULD4 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL30538023 1.00 BRPF1 (0.40) BRPF1CA12BRD4CA9KAT2B
SCHEMBL16932312 0.86 BRPF1 (0.41) BRPF1CA12BRD4CA9KAT2B
SCHEMBL22290891 0.82 BRPF1 (0.45) BRPF1CA12BRD4CA9KAT2B
SCHEMBL30538036 0.80 ALOX5 (0.30) ALOX5
SCHEMBL29038878 0.80 ALOX5 (0.30) ALOX5
SCHEMBL30537996 0.78 DDB1 (0.41)
SCHEMBL29038833 0.78 DDB1 (0.41)
SCHEMBL29038861 0.77 GPR55 (0.33)
SCHEMBL30538019 0.77 GPR55 (0.33)
SCHEMBL28362230 0.76 IDH1 (0.32)

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-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 CN disclosed