SCHEMBL3985810

SCHEMBL3985810

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(OC(=O)Nc4ccncc4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.49
ALDH1A1 P00352 6/20 0.46
POLB P06746 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAMPT P43490 1/20 0.42
PTPN5 P54829 1/20 0.42

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
SCHEMBL3979859 0.86 ALDH1A1 (0.51) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3983573 0.84 SERPINE1 (0.51) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4098217 0.84 SERPINE1 (0.50) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3983400 0.83 SERPINE1 (0.49) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4033646 0.83 BRD4 (0.51) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3981944 0.83 SERPINE1 (0.49) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3986748 0.83 SERPINE1 (0.47) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3989597 0.82 SERPINE1 (0.46) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL3982486 0.81 SERPINE1 (0.45) SERPINE1ALDH1A1POLBMEN1KMT2A
SCHEMBL4067259 0.80 SERPINE1 (0.46) SERPINE1ALDH1A1POLBMEN1KMT2A

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