SCHEMBL22280616

SCHEMBL22280616

COC(=O)Cc1c(Br)cccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 5/20 0.49
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CFTR P13569 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL19475215 0.86 KMT2A (0.49) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL21962094 0.84 KMT2A (0.47) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL30041782 0.83 LMNA (0.46) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL8127577 0.83 LMNA (0.46) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL436238 0.83 LMNA (0.46) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL29132974 0.82 KMT2A (0.46) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL31664600 0.82 HSD17B10 (0.41) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL6637803 0.81 GAA (0.44) KDM4EKMT2AHSD17B10POLBLMNA
SCHEMBL30364633 0.81 SMN1; SMN2 (0.49) KMT2AHSD17B10POLBLMNATSHR
SCHEMBL3653378 0.81 SMN1; SMN2 (0.49) KMT2AHSD17B10POLBLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020153431-A1 ESTER COMPOUND 第一三共株式会社 2020-07-30 WO disclosed
WO-2020153431-A1 ESTER COMPOUND 第一三共株式会社 2020-07-30 WO disclosed