SCHEMBL5162940

SCHEMBL5162940

O=C(O)c1cc(-c2ccc(OS(=O)(=O)C(F)(F)F)cn2)n(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.51
MCL1 Q07820 6/20 0.51
BCL2 P10415 5/20 0.51
RPA1 P27694 4/20 0.50
PPP1CA P62136 1/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MARS1 P56192 1/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1H O95180 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
SCHEMBL5163560 0.91 MARS1 (0.46) MDM2MCL1BCL2RPA1PPP1CA
SCHEMBL5978029 0.88 MARS1 (0.46) MDM2MCL1BCL2RPA1PPP1CA
SCHEMBL4932600 0.87 CA9 (0.52) MDM2MCL1BCL2KMT2AMEN1
SCHEMBL27668640 0.87 RPA1 (0.42) MDM2MCL1BCL2RPA1PPP1CA
SCHEMBL5979572 0.80 MDM2 (0.73) MDM2MCL1BCL2RPA1PPP1CA
SCHEMBL5527519 0.79 CNR1 (0.45) MDM2MCL1BCL2MARS1CACNA1G
SCHEMBL4927603 0.79 KMT2A (0.49) MDM2MCL1BCL2KMT2AMEN1
SCHEMBL17005383 0.78 ALDH1A1 (0.51) MDM2MCL1BCL2RPA1PPP1CA
SCHEMBL5979098 0.78 RPA1 (0.61) MDM2MCL1BCL2RPA1PPP1CA
SCHEMBL5269424 0.77 CA9 (0.46) MDM2MCL1BCL2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed