SCHEMBL3982486

SCHEMBL3982486

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(OC(=O)NC4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 1/20 0.41
PTPN5 P54829 1/20 0.40
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
UQCRB P14927 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 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
SCHEMBL3986748 0.93 SERPINE1 (0.47) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3989597 0.92 SERPINE1 (0.46) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3989040 0.87 SERPINE1 (0.46) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3982487 0.84 ALDH1A1 (0.49) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3947584 0.84 BRD4 (0.48) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3981129 0.83 SERPINE1 (0.46) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3983571 0.82 SERPINE1 (0.45) SERPINE1ALDH1A1CYP1A2POLBCYP2D6
SCHEMBL4098217 0.81 SERPINE1 (0.50) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3985810 0.81 SERPINE1 (0.49) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3983400 0.81 SERPINE1 (0.49) SERPINE1ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888058-B1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-05-20 EP claimed