SCHEMBL4792122

SCHEMBL4792122

CN(c1ccc2[nH]c(OC(=O)Nc3ccncc3)c(-c3ccccc3)c2c1)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
F2 P00734 1/20 0.37
TSHR P16473 2/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
PRSS1 P07477 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
GBA1 P04062 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
SCHEMBL5154936 0.86 HTT (0.45) NAMPTMEN1KMT2AHTTMAPT
SCHEMBL4659575 0.86 NR1H3 (0.40) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL4033646 0.85 BRD4 (0.51) NAMPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4761511 0.85 BRD4 (0.44) NAMPTMEN1KMT2AHTTMAPT
SCHEMBL4762525 0.83 CA1 (0.36) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL4659506 0.83 PTGDR2 (0.37) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL4761420 0.81 ALDH1A1 (0.39) MEN1KMT2AMAPTSMN1; SMN2PRSS1
SCHEMBL3943804 0.81 BRD4 (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4762894 0.81 TP53 (0.36) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL3942024 0.79 GABRA1 (0.43) NAMPT

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