SCHEMBL6207899

SCHEMBL6207899

CCN(C)C(=O)c1cc(-c2ccc(CN)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.55
RPA1 P27694 6/20 0.54
MALT1 Q9UDY8 2/20 0.51
MARS1 P56192 1/20 0.48
PTGS2 P35354 4/20 0.47
ALOX5 P09917 1/20 0.47
BCL2 P10415 1/20 0.46
MDM2 Q00987 1/20 0.46
MCL1 Q07820 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
Hydrochloric Acid SCHEMBL5148814 0.99 CHRNA7 (0.54) CHRNA7RPA1MALT1MARS1PTGS2
SCHEMBL14504509 0.92 CHRNA7 (0.53) CHRNA7RPA1MALT1MARS1PTGS2
SCHEMBL14504637 0.89 RPA1 (0.53) CHRNA7RPA1MALT1MARS1PTGS2
SCHEMBL3817516 0.88 CHRNA7 (0.53) CHRNA7RPA1MALT1MARS1PTGS2
SCHEMBL5148847 0.88 RPA1 (0.55) CHRNA7RPA1MALT1MARS1PTGS2
SCHEMBL5418312 0.86 RPA1 (0.58) CHRNA7RPA1MALT1MARS1PTGS2
SCHEMBL14504643 0.86 RPA1 (0.54) CHRNA7RPA1MALT1MARS1PTGS2
Hydrochloric Acid SCHEMBL5151848 0.85 MALT1 (0.43) CHRNA7RPA1MALT1BCL2MDM2
SCHEMBL5147822 0.85 CHRNA7 (0.52) CHRNA7RPA1MALT1MARS1PTGS2
Methane SCHEMBL5147829 0.85 RPA1 (0.48) CHRNA7RPA1MALT1MARS1PTGS2

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