SCHEMBL5163560

SCHEMBL5163560

O=C(O)c1cc(-c2ccc(OS(=O)(=O)C(F)(F)F)cn2)n(-c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 3/20 0.46
MDM2 Q00987 6/20 0.42
MCL1 Q07820 5/20 0.42
BCL2 P10415 4/20 0.42
RPA1 P27694 4/20 0.40
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
PPP1CA P62136 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KMO O15229 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL5162940 0.91 MDM2 (0.51) MARS1MDM2MCL1BCL2RPA1
SCHEMBL5527519 0.88 CNR1 (0.45) MARS1MDM2MCL1BCL2SLC16A3
SCHEMBL4927603 0.88 KMT2A (0.49) MDM2MCL1BCL2MEN1KMT2A
SCHEMBL27668640 0.86 RPA1 (0.42) MARS1MDM2MCL1BCL2RPA1
SCHEMBL4932632 0.85 CHRNA7 (0.38) MARS1
SCHEMBL5978029 0.83 MARS1 (0.46) MARS1MDM2MCL1BCL2RPA1
SCHEMBL4923110 0.81 MDM2 (0.62) MARS1MDM2MCL1BCL2RPA1
SCHEMBL14416517 0.81 MARS1 (0.47) MARS1MDM2MCL1BCL2RPA1
SCHEMBL5524370 0.81 MARS1 (0.53) MARS1MDM2MCL1BCL2RPA1
SCHEMBL4927577 0.80 MARS1 (0.53) MARS1MDM2MCL1BCL2RPA1

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