SCHEMBL3655028

SCHEMBL3655028

COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)n2)cc1.O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
MAPT P10636 8/20 0.54
USP2 O75604 1/20 0.54
RECQL P46063 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
VCAM1 P19320 2/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
EGFR P00533 1/20 0.48
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
KCNQ1 P51787 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
MMP1 P03956 1/20 0.46

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
SCHEMBL3010501 0.97 POLB (0.60) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3001171 0.93 SMN1; SMN2 (0.60) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3014175 0.91 MAPT (0.59) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3644339 0.88 MAPT (0.57) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3015112 0.88 SMN1; SMN2 (0.66) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3006945 0.88 SMN1; SMN2 (0.66) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3016305 0.88 MAPT (0.71) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3003575 0.88 SMN1; SMN2 (0.52) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL3016363 0.88 SMN1; SMN2 (0.58) POLBMAPTUSP2RECQLHSD17B10
SCHEMBL2999988 0.87 SMN1; SMN2 (0.53) POLBMAPTUSP2RECQLHSD17B10

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