SCHEMBL4868478

SCHEMBL4868478

CC1(C)Cc2cc(S(=O)(=O)NN3CCN(c4cccc(Cl)c4)CC3)cc(O)c2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4787825 0.86 MAPT (0.40) LMNAMAPTGAACA12CA1
SCHEMBL4786621 0.83 SMN1; SMN2 (0.38) LMNAMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL4788883 0.72 TSHR (0.39) LMNAMAPTGAACA12CA1
SCHEMBL4752969 0.70 PKM (0.46) MAPTALDH1A1NPSR1PKM
SCHEMBL4787216 0.68 AKT1 (0.38) LMNAMAPTCA12CA1CA2
SCHEMBL4750485 0.65 HTR2A (0.51) LMNAALDH1A1NPSR1PKM
SCHEMBL4812505 0.64 LMNA (0.41) LMNASMN1; SMN2ALDH1A1NPSR1MAPK1
SCHEMBL4750480 0.64 ALDH1A1 (0.39) LMNAMAPTALDH1A1KDM4EPOLB
SCHEMBL4788339 0.64 KCNH2 (0.50)
SCHEMBL6714846 0.63 ALDH1A1 (0.75) LMNAMAPTCA12CA1CA9

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
WO-2008146064-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT7 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR (HU) 2008-12-04 WO disclosed