SCHEMBL6209746

SCHEMBL6209746

C=C(C)c1cc(-c2ccc(OCCOC(N)=O)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.42
MCL1 Q07820 4/20 0.42
BCL2 P10415 3/20 0.42
CHRNA7 P36544 1/20 0.42
RPA1 P27694 3/20 0.41
MALT1 Q9UDY8 1/20 0.40
MARS1 P56192 1/20 0.40
PTGS2 P35354 8/20 0.40
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
PTGS1 P23219 4/20 0.38

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
SCHEMBL5148951 0.88 MALT1 (0.41) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL14505008 0.87 MDM2 (0.43) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL6210243 0.87 FFAR4 (0.44) MDM2MCL1BCL2CHRNA7RPA1
Hydrochloric Acid SCHEMBL5152030 0.87 MDM2 (0.40) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL6208574 0.86 MDM2 (0.41) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL6208572 0.85 MALT1 (0.45) MDM2MCL1BCL2CHRNA7MALT1
SCHEMBL6210679 0.85 BCL2 (0.43) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL5148826 0.85 MDM2 (0.43) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL6208556 0.83 FABP3 (0.40) MDM2MCL1BCL2CHRNA7RPA1
SCHEMBL14504991 0.83 MDM2 (0.46) MDM2MCL1BCL2CHRNA7RPA1

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-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed