SCHEMBL3947584

SCHEMBL3947584

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(OC(=O)NC4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.48
SERPINE1 P05121 1/20 0.45
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN5 P54829 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 3/20 0.38
UQCRB P14927 1/20 0.38
HSD17B2 P37059 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
SCHEMBL4762404 0.95 BRD4 (0.42) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3944386 0.94 BRD4 (0.52) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3945672 0.93 BRD4 (0.50) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3944372 0.93 BRD4 (0.44) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3941796 0.92 BRD4 (0.43) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3947292 0.92 BRD4 (0.49) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3951625 0.92 BRD4 (0.49) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3951262 0.92 BRD4 (0.43) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3942165 0.92 BRD4 (0.49) BRD4SERPINE1ALDH1A1MEN1KMT2A
SCHEMBL3944417 0.92 BRD4 (0.49) BRD4SERPINE1ALDH1A1MEN1KMT2A

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-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP claimed
EP-1802572-B1 INDOL DERIVATIVES AS INHIBITORS OF SOLUBLE ADENYLYL CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-22 EP disclosed