SCHEMBL7309976

SCHEMBL7309976

CNC(=O)CC(C(=O)OS(C)(=O)=O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ACR P10323 3/20 0.38
PRSS1 P07477 3/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
RORC P51449 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KLK1 P06870 1/20 0.36
POLB P06746 1/20 0.35
FTO Q9C0B1 1/20 0.35
TMPRSS15 P98073 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL7309972 0.89 MAPT (0.47) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL1399030 0.88 PRSS1 (0.42) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL1645315 0.86 MAPT (0.51) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL9236106 0.83 ACR (0.42) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL9231748 0.80 ACR (0.40) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL9235998 0.80 ACR (0.40) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL7307769 0.80 ACR (0.45) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL11305091 0.79 PRSS1 (0.42) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL11305070 0.78 PRSS1 (0.53) KMT2AACRPRSS1MEN1SMN1; SMN2
SCHEMBL1648216 0.77 KMT2A (0.47) KMT2AACRPRSS1MEN1SMN1; SMN2

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
US-4021472-A ANTIPLASMIN AND ANTITRYPSIN ONO PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 US disclosed