SCHEMBL3983571

SCHEMBL3983571

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3sc(OC(=O)NCCCN4CCOCC4)c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
TACR2 P21452 3/20 0.45
BDKRB1 P46663 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ACHE P22303 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
AURKA O14965 1/20 0.40
FLT3 P36888 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3981129 0.96 SERPINE1 (0.46) SERPINE1TACR2EPHX2ALDH1A1POLB
SCHEMBL3983675 0.89 ALDH1A1 (0.46) SERPINE1TACR2BDKRB1ALDH1A1KDM4E
SCHEMBL3988840 0.85 SERPINE1 (0.46) SERPINE1ALDH1A1KDM4EPOLBCYP1A2
SCHEMBL3942225 0.85 SERPINE1 (0.44) SERPINE1TACR2BDKRB1EPHX2ALDH1A1
SCHEMBL4098217 0.85 SERPINE1 (0.50) SERPINE1ALDH1A1KDM4EPOLBCYP1A2
SCHEMBL3983400 0.84 SERPINE1 (0.49) SERPINE1ALDH1A1KDM4EPOLBCYP1A2
SCHEMBL3983700 0.84 LMNA (0.48) SERPINE1EPHX2ALDH1A1POLBJAK2
SCHEMBL3981944 0.84 SERPINE1 (0.49) SERPINE1BDKRB1ALDH1A1PKMPOLB
SCHEMBL4618697 0.82 ALDH1A1 (0.45) SERPINE1TACR2BDKRB1ALDH1A1KDM4E
SCHEMBL3982486 0.82 SERPINE1 (0.45) SERPINE1ALDH1A1POLBCRHBPCRHR2

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