SCHEMBL3649820

SCHEMBL3649820

COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)c(OC)c1.COc1ccc(OC)c(-c2csc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.50
MAPT P10636 5/20 0.48
USP2 O75604 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 1/20 0.48
AR P10275 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KCNQ1 P51787 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL3015047 0.97 MAPT (0.51) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3018032 0.97 REV1 (0.53) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3017437 0.89 KMT2A (0.51) MAPTUSP2RECQLHSD17B10AR
SCHEMBL3771577 0.86 REV1 (0.47) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3011256 0.85 MAPT (0.51) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3006754 0.85 REV1 (0.56) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3010407 0.84 REV1 (0.57) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3010901 0.84 KMT2A (0.57) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3012956 0.84 MAPT (0.51) REV1MAPTUSP2RECQLHSD17B10
SCHEMBL3008929 0.84 REV1 (0.55) REV1MAPTUSP2RECQLHSD17B10

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