SCHEMBL28636738

SCHEMBL28636738

COC(=O)c1ccc(Br)c2c1CCOO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA14 Q9ULX7 1/20 0.35
NR4A2 P43354 1/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 4/20 0.35
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 2/20 0.33

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
SCHEMBL22032138 0.85 KDM4E (0.39) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL21955361 0.79 KDM4E (0.39) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL22032173 0.78 KDM4E (0.38) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL38658847 0.76 CA1 (0.42) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL4486453 0.73 KDM4E (0.49) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL18397725 0.73 SLC6A3 (0.40) KMT2ASLC6A3KDM4ECA1CA2
SCHEMBL17873248 0.72 CA1 (0.39) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL22084664 0.72 KDM4E (0.37) HTTKMT2ASLC6A3KDM4ESMN1; SMN2
SCHEMBL5723027 0.72 KDM4E (0.55) KMT2ASLC6A3KDM4ESMN1; SMN2CA1
SCHEMBL10320877 0.72 KDM4E (0.48) KDM4ESMN1; SMN2CA1CA2CA9

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-108341814-B JAK kinase inhibitors and uses thereof 上海翔锦生物科技有限公司 2021-09-03 CN disclosed