SCHEMBL3650232

SCHEMBL3650232

COc1ccccc1Cc1csc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1.Cc1ccccc1Cc1csc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GBA1 P04062 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 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
SCHEMBL3005087 0.96 MAPT (0.46) MAPTUSP2RECQLHSD17B10HTR1A
SCHEMBL2997804 0.93 GBA1 (0.45) MAPTALDH1A1LMNAPOLBGBA1
SCHEMBL3015321 0.88 ALDH1A1 (0.49) MAPTUSP2RECQLHSD17B10HTR1A
SCHEMBL3006243 0.87 MEN1 (0.52) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3013460 0.86 SMN1; SMN2 (0.44) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3005294 0.85 TP53 (0.56) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3013485 0.85 MAPT (0.58) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3015412 0.85 MEN1 (0.54) MAPTUSP2RECQLHSD17B10HTR1A
SCHEMBL3017323 0.85 RECQL (0.48) MAPTUSP2RECQLHSD17B10ALDH1A1
SCHEMBL3014224 0.85 MAPT (0.48) MAPTUSP2RECQLHSD17B10ALDH1A1

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