SCHEMBL4659506

SCHEMBL4659506

CC(O)CNC(=O)Oc1[nH]c2ccc(N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
PRSS1 P07477 1/20 0.36
TP53 P04637 1/20 0.36
SERPINE1 P05121 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL4762525 0.88 CA1 (0.36) PTGDR2PRSS1TP53LMNASMN1; SMN2
SCHEMBL5156283 0.86 CA1 (0.46) PTGDR2LMNACA12CA1CA2
SCHEMBL4659575 0.86 NR1H3 (0.40) PTGDR2PRSS1TP53SMN1; SMN2THRB
SCHEMBL3945673 0.84 SERPINE1 (0.52) SERPINE1POLBMAPTMEN1KMT2A
SCHEMBL4761303 0.84 SERPINE1 (0.46) TP53SERPINE1LMNATHRBCA12
SCHEMBL4761420 0.83 ALDH1A1 (0.39) PTGDR2PRSS1TP53SMN1; SMN2THRB
SCHEMBL4792122 0.83 NAMPT (0.40) PRSS1TP53LMNASMN1; SMN2THRB
SCHEMBL4762894 0.81 TP53 (0.36) PTGDR2PRSS1TP53LMNASMN1; SMN2
SCHEMBL5151357 0.78 KDM4E (0.51) PTGDR2PRSS1CA12CA1CA2
SCHEMBL4792514 0.77 MCL1 (0.41) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001847-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS Bayer Schering Pharma AG (DE) 2008-12-17 EP claimed
WO-2007107385-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO claimed
EP-2001847-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS Bayer Schering Pharma AG (DE) 2008-12-17 EP disclosed
WO-2007107385-A2 SOLUBLE ADENYLATE CYCLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 WO disclosed