SCHEMBL8107435

SCHEMBL8107435

CC(C)C[C@](C(=O)NNCN1C(=O)c2ccccc2C1=O)([C@@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
ADAM17 P78536 1/20 0.30

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
SCHEMBL6941960 0.87 ADAM17 (0.33) KMT2AADAM17
SCHEMBL7937958 0.86 P2RX3 (0.31) ADAM17
SCHEMBL7928806 0.86 P2RX3 (0.34) ADAM17
SCHEMBL7940268 0.85 P2RX3 (0.30)
SCHEMBL7937824 0.82 SMN1; SMN2 (0.33)
SCHEMBL8111767 0.81 GAA (0.33)
SCHEMBL7940265 0.76 GAA (0.33)
SCHEMBL7940281 0.75 CCNA2 (0.31)
SCHEMBL6944688 0.75 P2RX3 (0.31)
SCHEMBL6943519 0.74 ADAM17 (0.53) KMT2AADAM17

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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed