SCHEMBL3653241

SCHEMBL3653241

COc1cc(Cc2csc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)CC3)n2)cc(OC)c1.Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Cl)c(Cl)c4)cs3)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F2RL3 Q96RI0 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
ERBB2 P04626 2/20 0.35
EPHA2 P29317 2/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL3002536 0.92 EPHX2 (0.48) EPHX2MAPTKDM4EL3MBTL1TSHR
SCHEMBL3011341 0.92 NPSR1 (0.42) MAPTUSP2RECQLHSD17B10KDM4E
SCHEMBL3012685 0.88 KMT2A (0.45) MAPTUSP2RECQLHSD17B10KDM4E
SCHEMBL3001008 0.87 MAPT (0.49) MAPTUSP2RECQLHSD17B10TSHR
SCHEMBL3012030 0.85 HSD17B10 (0.48) MAPTUSP2RECQLHSD17B10KDM4E
SCHEMBL3010155 0.84 LMNA (0.42) EPHX2MAPTKDM4EL3MBTL1TSHR
SCHEMBL3006920 0.84 LMNA (0.42) EPHX2MAPTKDM4EL3MBTL1TSHR
SCHEMBL3009944 0.84 SMN1; SMN2 (0.44) MAPTUSP2RECQLHSD17B10KDM4E
SCHEMBL3653349 0.84 ALDH1A1 (0.48) MAPTUSP2RECQLHSD17B10KDM4E
SCHEMBL3008378 0.84 EPHX2 (0.47) EPHX2MAPTKDM4ETSHRKMT2A

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-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 EP disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 WO disclosed